N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

C15H30N2 — CID 65470840

IUPACN-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCCCCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H30N2/c1-3-4-5-6-10-16-13-11-14-8-7-9-15(12-13)17(14)2/h13-16H,3-12H2,1-2H3
InChIKeyQTHDLGUEXOEWGP-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.17
Rot. Bonds6

About N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine

N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 65470840) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID65470840
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESCCCCCCNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H30N2/c1-3-4-5-6-10-16-13-11-14-8-7-9-15(12-13)17(14)2/h13-16H,3-12H2,1-2H3
InChIKeyQTHDLGUEXOEWGP-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-N-octyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472549
9-methyl-N-(2-propylsulfonylethyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 106723889
N-hexyl-3-propan-2-ylcyclohexan-1-amine
CID 107447898
N-dodecylcyclohexanamine
CID 3679395
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
9-methyl-N-pent-3-ynyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 104807094
8-methyl-N-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 63981872
N-pentyl-3-propan-2-ylcyclohexan-1-amine
CID 107447748
1-butoxy-3-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]propan-2-ol
CID 107262875
N-heptyl-3,5-dimethylcyclohexan-1-amine
CID 64731854
N-(cyclopentylmethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65472545
9-cyclopentyl-N-propyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 62711986

Frequently Asked Questions

What is the IUPAC name of N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 65470840) is N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is CCCCCCNC1CC2CCCC(C1)N2C.
What is the InChIKey of N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is QTHDLGUEXOEWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-4-5-6-10-16-13-11-14-8-7-9-15(12-13)17(14)2/h13-16H,3-12H2,1-2H3.
What are the key properties of N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 65470840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).