(1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

C17H27N — CID 166924800

IUPAC(1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESC/C=C\C=C/CC/N=C1\CC2CC[C@]1(C)C2(C)C
InChIInChI=1S/C17H27N/c1-5-6-7-8-9-12-18-15-13-14-10-11-17(15,4)16(14,2)3/h5-8,14H,9-13H2,1-4H3/b6-5-,8-7-,18-15+/t14?,17-/m0/s1
InChIKeyNOEGEBBYMBVCEU-FVLTULFFSA-N
MW245.41 g/mol
LogP4.80
Rot. Bonds4

About (1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine

(1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (PubChem CID 166924800) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.

Molecular Properties

Compound Name(1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
PubChem CID166924800
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine
SMILESC/C=C\C=C/CC/N=C1\CC2CC[C@]1(C)C2(C)C
InChIInChI=1S/C17H27N/c1-5-6-7-8-9-12-18-15-13-14-10-11-17(15,4)16(14,2)3/h5-8,14H,9-13H2,1-4H3/b6-5-,8-7-,18-15+/t14?,17-/m0/s1
InChIKeyNOEGEBBYMBVCEU-FVLTULFFSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The IUPAC name of (1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine (CID 166924800) is (1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine.
What is the SMILES notation for (1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The canonical SMILES for (1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is C/C=C\C=C/CC/N=C1\CC2CC[C@]1(C)C2(C)C.
What is the InChIKey of (1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
The InChIKey is NOEGEBBYMBVCEU-FVLTULFFSA-N. The full InChI is InChI=1S/C17H27N/c1-5-6-7-8-9-12-18-15-13-14-10-11-17(15,4)16(14,2)3/h5-8,14H,9-13H2,1-4H3/b6-5-,8-7-,18-15+/t14?,17-/m0/s1.
What are the key properties of (1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine?
(1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine has a molecular weight of 245.41 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(3Z,5Z)-hepta-3,5-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-imine is sourced from PubChem (CID 166924800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).