[(1R,3S)-3-butylcyclopentyl]methanamine

C10H21N — CID 70345503

IUPAC[(1R,3S)-3-butylcyclopentyl]methanamine
SMILESCCCC[C@H]1CC[C@@H](CN)C1
InChIInChI=1S/C10H21N/c1-2-3-4-9-5-6-10(7-9)8-11/h9-10H,2-8,11H2,1H3/t9-,10+/m0/s1
InChIKeySSGVPRYCXRUGTL-VHSXEESVSA-N
MW155.28 g/mol
LogP2.55
Rot. Bonds4

About [(1R,3S)-3-butylcyclopentyl]methanamine

[(1R,3S)-3-butylcyclopentyl]methanamine (PubChem CID 70345503) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is [(1R,3S)-3-butylcyclopentyl]methanamine.

Molecular Properties

Compound Name[(1R,3S)-3-butylcyclopentyl]methanamine
PubChem CID70345503
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name[(1R,3S)-3-butylcyclopentyl]methanamine
SMILESCCCC[C@H]1CC[C@@H](CN)C1
InChIInChI=1S/C10H21N/c1-2-3-4-9-5-6-10(7-9)8-11/h9-10H,2-8,11H2,1H3/t9-,10+/m0/s1
InChIKeySSGVPRYCXRUGTL-VHSXEESVSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Ethylhexylamine
CID 7719
Tridecylamine, branched and linear
CID 22833454
Isononanamine
CID 119716
2-Methyloctane-1,8-diamine
CID 10877399
Isooctylamine
CID 73985
2-Decyltetradecan-1-amine
CID 11035605
2-Hexyldecan-1-amine
CID 15335006
2-Butyl-n-octan-1-amine
CID 18673284
2-n-Octyl-1-dodecylamine
CID 18761999
Medelamine A
CID 10353173
alpha-Methylcyclopentaneethanamine
CID 7743
2-Propylheptan-1-amine
CID 21267775

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-butylcyclopentyl]methanamine?
The IUPAC name of [(1R,3S)-3-butylcyclopentyl]methanamine (CID 70345503) is [(1R,3S)-3-butylcyclopentyl]methanamine.
What is the SMILES notation for [(1R,3S)-3-butylcyclopentyl]methanamine?
The canonical SMILES for [(1R,3S)-3-butylcyclopentyl]methanamine is CCCC[C@H]1CC[C@@H](CN)C1.
What is the InChIKey of [(1R,3S)-3-butylcyclopentyl]methanamine?
The InChIKey is SSGVPRYCXRUGTL-VHSXEESVSA-N. The full InChI is InChI=1S/C10H21N/c1-2-3-4-9-5-6-10(7-9)8-11/h9-10H,2-8,11H2,1H3/t9-,10+/m0/s1.
What are the key properties of [(1R,3S)-3-butylcyclopentyl]methanamine?
[(1R,3S)-3-butylcyclopentyl]methanamine has a molecular weight of 155.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-butylcyclopentyl]methanamine is sourced from PubChem (CID 70345503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).