N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C18H32N2 — CID 103276855

IUPACN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC1=CC(C)CC(CNC2CC3CCCC(C2)N3C)C1
InChIInChI=1S/C18H32N2/c1-13-7-14(2)9-15(8-13)12-19-16-10-17-5-4-6-18(11-16)20(17)3/h7,13,15-19H,4-6,8-12H2,1-3H3
InChIKeySMZRZQFBJHWYGU-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.58
Rot. Bonds3

About N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 103276855) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID103276855
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCC1=CC(C)CC(CNC2CC3CCCC(C2)N3C)C1
InChIInChI=1S/C18H32N2/c1-13-7-14(2)9-15(8-13)12-19-16-10-17-5-4-6-18(11-16)20(17)3/h7,13,15-19H,4-6,8-12H2,1-3H3
InChIKeySMZRZQFBJHWYGU-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine with MolForge

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Related Compounds

1-cyclopropyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]piperidin-4-amine
CID 103276499
N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472545
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-ethylpiperidin-4-amine
CID 103276630
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 103276215
1-cyclobutyl-N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]methanamine
CID 103276186
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122679
3-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-methylpyrrolidin-2-one
CID 106253467
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,1-dioxothian-3-amine
CID 103276802
3-[[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]methyl]cyclopentan-1-ol
CID 106121040
2-[(3,5-dimethylcyclohex-3-en-1-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 103277043
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 119036320
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 103276638

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 103276855) is N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CC1=CC(C)CC(CNC2CC3CCCC(C2)N3C)C1.
What is the InChIKey of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is SMZRZQFBJHWYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13-7-14(2)9-15(8-13)12-19-16-10-17-5-4-6-18(11-16)20(17)3/h7,13,15-19H,4-6,8-12H2,1-3H3.
What are the key properties of N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 276.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 103276855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).