N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C18H34N2 — CID 107417173

IUPACN-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC1CCCC1CNC1C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C18H34N2/c1-13(2)20-11-16-8-5-9-17(12-20)18(16)19-10-15-7-4-6-14(15)3/h13-19H,4-12H2,1-3H3
InChIKeyXSBMZJIJJFRDQZ-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.52
Rot. Bonds4

About N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 107417173) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID107417173
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCC1CCCC1CNC1C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C18H34N2/c1-13(2)20-11-16-8-5-9-17(12-20)18(16)19-10-15-7-4-6-14(15)3/h13-19H,4-12H2,1-3H3
InChIKeyXSBMZJIJJFRDQZ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 107417173) is N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is CC1CCCC1CNC1C2CCCC1CN(C(C)C)C2.
What is the InChIKey of N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is XSBMZJIJJFRDQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-13(2)20-11-16-8-5-9-17(12-20)18(16)19-10-15-7-4-6-14(15)3/h13-19H,4-12H2,1-3H3.
What are the key properties of N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 278.48 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopentyl)methyl]-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 107417173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).