[1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine

C15H28N2 — CID 114196547

IUPAC[1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine
SMILESNCC1(CN2CC3CCCC(C3)C2)CCCC1
InChIInChI=1S/C15H28N2/c16-11-15(6-1-2-7-15)12-17-9-13-4-3-5-14(8-13)10-17/h13-14H,1-12,16H2
InChIKeyMLEAOZMBWFBQDH-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.63
Rot. Bonds3

About [1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine

[1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine (PubChem CID 114196547) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is [1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine
PubChem CID114196547
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name[1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine
SMILESNCC1(CN2CC3CCCC(C3)C2)CCCC1
InChIInChI=1S/C15H28N2/c16-11-15(6-1-2-7-15)12-17-9-13-4-3-5-14(8-13)10-17/h13-14H,1-12,16H2
InChIKeyMLEAOZMBWFBQDH-UHFFFAOYSA-N
XLogP2.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine with MolForge

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Related Compounds

1-[[1-(aminomethyl)cyclopentyl]methyl]azetidin-3-ol
CID 130878081
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
[1-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexyl]methanamine
CID 79170228
[1-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]cyclopentyl]methanamine
CID 63168694
2-[[1-(aminomethyl)cyclohexyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 113399564
[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
CID 112629002
1-[[1-(aminomethyl)cyclobutyl]methyl]-N,N-dimethylpiperidin-3-amine
CID 115449099
[1-[(3-ethylpiperidin-1-yl)methyl]cyclohexyl]methanamine
CID 62257531
[1-[(2,6-dimethylpiperidin-1-yl)methyl]cycloheptyl]methanamine
CID 115444989
2-[[1-(aminomethyl)cyclohexyl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115792
[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 113417909
[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
CID 82171578

Frequently Asked Questions

What is the IUPAC name of [1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine?
The IUPAC name of [1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine (CID 114196547) is [1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine?
The canonical SMILES for [1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine is NCC1(CN2CC3CCCC(C3)C2)CCCC1.
What is the InChIKey of [1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine?
The InChIKey is MLEAOZMBWFBQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c16-11-15(6-1-2-7-15)12-17-9-13-4-3-5-14(8-13)10-17/h13-14H,1-12,16H2.
What are the key properties of [1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine?
[1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine has a molecular weight of 236.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-azabicyclo[3.3.1]nonan-3-ylmethyl)cyclopentyl]methanamine is sourced from PubChem (CID 114196547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).