(2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide

C15H24N2O — CID 129432056

IUPAC(2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide
SMILESCC[C@H](C)C(=O)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]21
InChIInChI=1S/C15H24N2O/c1-3-9(2)15(18)17-16-14-8-10-7-13(14)12-6-4-5-11(10)12/h9-13H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11-,12-,13-/m0/s1
InChIKeySIXOJNKPMKSKOB-PPCPHDFISA-N
MW248.37 g/mol
LogP2.96
Rot. Bonds3

About (2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide

(2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide (PubChem CID 129432056) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is (2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide.

Molecular Properties

Compound Name(2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide
PubChem CID129432056
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name(2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide
SMILESCC[C@H](C)C(=O)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]21
InChIInChI=1S/C15H24N2O/c1-3-9(2)15(18)17-16-14-8-10-7-13(14)12-6-4-5-11(10)12/h9-13H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11-,12-,13-/m0/s1
InChIKeySIXOJNKPMKSKOB-PPCPHDFISA-N
XLogP2.96
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
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'}

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Related Compounds

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
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
(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
(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
4-methyl-N-[(Z)-[(1S,2R,6S,7R)-8-tricyclo[5.2.1.02,6]decanylidene]amino]benzenesulfonamide
CID 98405958
N-(2-adamantylideneamino)-2-methylbutanamide
CID 75363503
methane;tricyclo[5.2.1.02,6]decan-8-one
CID 162040407
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide?
The IUPAC name of (2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide (CID 129432056) is (2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide.
What is the SMILES notation for (2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide?
The canonical SMILES for (2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide is CC[C@H](C)C(=O)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]21.
What is the InChIKey of (2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide?
The InChIKey is SIXOJNKPMKSKOB-PPCPHDFISA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-9(2)15(18)17-16-14-8-10-7-13(14)12-6-4-5-11(10)12/h9-13H,3-8H2,1-2H3,(H,17,18)/t9-,10+,11-,12-,13-/m0/s1.
What are the key properties of (2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide?
(2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-[[(1R,2S,6S,7S)-8-tricyclo[5.2.1.02,6]decanylidene]amino]butanamide is sourced from PubChem (CID 129432056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).