(Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine

C20H28N2 — CID 98628114

IUPAC(Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine
SMILESC1C[C@@H]2[C@@H](C1)[C@@H]1C/C(=N/N=C3/C[C@H]4C[C@H]3[C@H]3CCC[C@H]43)[C@H]2C1
InChIInChI=1S/C20H28N2/c1-3-13-11-7-17(15(13)5-1)19(9-11)21-22-20-10-12-8-18(20)16-6-2-4-14(12)16/h11-18H,1-10H2/b21-19-,22-20-/t11-,12+,13-,14+,15+,16-,17-,18-/m0/s1
InChIKeyIPMPDKGHTLRJQQ-VKCAMWIDSA-N
MW296.46 g/mol
LogP4.70
Rot. Bonds1

About (Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine

(Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine (PubChem CID 98628114) has the molecular formula C20H28N2 and a molecular weight of 296.46 g/mol. Its IUPAC name is (Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine.

Molecular Properties

Compound Name(Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine
PubChem CID98628114
Molecular FormulaC20H28N2
Molecular Weight296.46 g/mol
Exact Mass296.23
IUPAC Name(Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine
SMILESC1C[C@@H]2[C@@H](C1)[C@@H]1C/C(=N/N=C3/C[C@H]4C[C@H]3[C@H]3CCC[C@H]43)[C@H]2C1
InChIInChI=1S/C20H28N2/c1-3-13-11-7-17(15(13)5-1)19(9-11)21-22-20-10-12-8-18(20)16-6-2-4-14(12)16/h11-18H,1-10H2/b21-19-,22-20-/t11-,12+,13-,14+,15+,16-,17-,18-/m0/s1
InChIKeyIPMPDKGHTLRJQQ-VKCAMWIDSA-N
XLogP4.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine with MolForge

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Related Compounds

(Z,1R,2R,6R,7S)-N-[(Z)-[(1R,2R,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine
CID 125027928
methane;tricyclo[5.2.1.02,6]decan-8-one
CID 162040407
(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107
(1S,2R,6R,7S)-8-methylidenetricyclo[5.2.1.02,6]decane
CID 13462522
(2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide
CID 129432056
2-methyl-N-[(E)-8-tricyclo[5.2.1.02,6]decanylideneamino]butanamide
CID 56795966
(2S)-2-methyl-N-[[(1R,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide
CID 129432055
4-methyl-N-[(Z)-[(1S,2R,6S,7R)-8-tricyclo[5.2.1.02,6]decanylidene]amino]benzenesulfonamide
CID 98405958
[(E)-[(1S,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino] 2,4-dichlorobenzoate
CID 10688365
4-methylsulfonyl-N-(8-tricyclo[5.2.1.02,6]decanylideneamino)aniline
CID 91942338
1-[(3S)-1,1-dioxothiolan-3-yl]-3-[(E)-[(1R,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]urea
CID 124884259
(2S,7R)-tricyclo[6.1.1.02,7]decane
CID 15939125

Frequently Asked Questions

What is the IUPAC name of (Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine?
The IUPAC name of (Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine (CID 98628114) is (Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine.
What is the SMILES notation for (Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine?
The canonical SMILES for (Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine is C1C[C@@H]2[C@@H](C1)[C@@H]1C/C(=N/N=C3/C[C@H]4C[C@H]3[C@H]3CCC[C@H]43)[C@H]2C1.
What is the InChIKey of (Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine?
The InChIKey is IPMPDKGHTLRJQQ-VKCAMWIDSA-N. The full InChI is InChI=1S/C20H28N2/c1-3-13-11-7-17(15(13)5-1)19(9-11)21-22-20-10-12-8-18(20)16-6-2-4-14(12)16/h11-18H,1-10H2/b21-19-,22-20-/t11-,12+,13-,14+,15+,16-,17-,18-/m0/s1.
What are the key properties of (Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine?
(Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine has a molecular weight of 296.46 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1R,2R,6S,7S)-N-[(Z)-[(1S,2S,6R,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]tricyclo[5.2.1.02,6]decan-8-imine is sourced from PubChem (CID 98628114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).