2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine

C15H27N — CID 162850210

IUPAC2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine
SMILESCC1=CC[C@H](C(C)(C)N)CC/C(C)=C\CC1
InChIInChI=1S/C15H27N/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14H,5,7-8,10-11,16H2,1-4H3/b12-6-,13-9?/t14-/m1/s1
InChIKeyFMELZXAKSAUHLF-AUGQSGKSSA-N
MW221.39 g/mol
LogP4.20
Rot. Bonds1

About 2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine

2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine (PubChem CID 162850210) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine.

Molecular Properties

Compound Name2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine
PubChem CID162850210
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine
SMILESCC1=CC[C@H](C(C)(C)N)CC/C(C)=C\CC1
InChIInChI=1S/C15H27N/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14H,5,7-8,10-11,16H2,1-4H3/b12-6-,13-9?/t14-/m1/s1
InChIKeyFMELZXAKSAUHLF-AUGQSGKSSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine?
The IUPAC name of 2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine (CID 162850210) is 2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine.
What is the SMILES notation for 2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine?
The canonical SMILES for 2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine is CC1=CC[C@H](C(C)(C)N)CC/C(C)=C\CC1.
What is the InChIKey of 2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine?
The InChIKey is FMELZXAKSAUHLF-AUGQSGKSSA-N. The full InChI is InChI=1S/C15H27N/c1-12-6-5-7-13(2)9-11-14(10-8-12)15(3,4)16/h6,9,14H,5,7-8,10-11,16H2,1-4H3/b12-6-,13-9?/t14-/m1/s1.
What are the key properties of 2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine?
2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine has a molecular weight of 221.39 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-amine is sourced from PubChem (CID 162850210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).