[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine

C16H34N2 — CID 161132665

IUPAC[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
SMILESCC[C@@H]1CC[C@H](CN)C1.CC[C@H]1CC[C@H](CN)C1
InChIInChI=1S/2C8H17N/c2*1-2-7-3-4-8(5-7)6-9/h2*7-8H,2-6,9H2,1H3/t7-,8+;7-,8-/m10/s1
InChIKeyUMJYPOVVORJILV-LZPZNUJXSA-N
MW254.46 g/mol
LogP3.54
Rot. Bonds4

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

[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine (PubChem CID 161132665) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is [(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
PubChem CID161132665
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine
SMILESCC[C@@H]1CC[C@H](CN)C1.CC[C@H]1CC[C@H](CN)C1
InChIInChI=1S/2C8H17N/c2*1-2-7-3-4-8(5-7)6-9/h2*7-8H,2-6,9H2,1H3/t7-,8+;7-,8-/m10/s1
InChIKeyUMJYPOVVORJILV-LZPZNUJXSA-N
XLogP3.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-3-ethylcyclopentyl]methanamine
CID 149108624
1,3-diethylcyclopentane
CID 530396
(3-propylcyclopentyl)methanamine
CID 83635339
ethanamine;ethylcyclopropane
CID 70018487
[(1R,3S)-3-butylcyclopentyl]methanamine
CID 70345503
N-[[3-(aminomethyl)cyclopentyl]methyl]-N-ethylethanamine
CID 83619172
[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
[4-(aminomethyl)cyclohexyl]methanamine
CID 158172497
[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
CID 134168481
trans-(1R,3R)-1-ethyl-3-methylcyclopentane
CID 6432281
2,7-diethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 58695351

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine?
The IUPAC name of [(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine (CID 161132665) is [(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine.
What is the SMILES notation for [(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine?
The canonical SMILES for [(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine is CC[C@@H]1CC[C@H](CN)C1.CC[C@H]1CC[C@H](CN)C1.
What is the InChIKey of [(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine?
The InChIKey is UMJYPOVVORJILV-LZPZNUJXSA-N. The full InChI is InChI=1S/2C8H17N/c2*1-2-7-3-4-8(5-7)6-9/h2*7-8H,2-6,9H2,1H3/t7-,8+;7-,8-/m10/s1.
What are the key properties of [(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine?
[(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine has a molecular weight of 254.46 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-ethylcyclopentyl]methanamine;[(1S,3S)-3-ethylcyclopentyl]methanamine is sourced from PubChem (CID 161132665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).