3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol

C14H30N2O — CID 114496536

IUPAC3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol
SMILESCCN(CC(O)(CC)CC)C1CCCC1CN
InChIInChI=1S/C14H30N2O/c1-4-14(17,5-2)11-16(6-3)13-9-7-8-12(13)10-15/h12-13,17H,4-11,15H2,1-3H3
InChIKeyUVASUCDUZHRJPK-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.99
Rot. Bonds7

About 3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol

3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol (PubChem CID 114496536) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol
PubChem CID114496536
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol
SMILESCCN(CC(O)(CC)CC)C1CCCC1CN
InChIInChI=1S/C14H30N2O/c1-4-14(17,5-2)11-16(6-3)13-9-7-8-12(13)10-15/h12-13,17H,4-11,15H2,1-3H3
InChIKeyUVASUCDUZHRJPK-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-butyl-N-ethylcyclohexan-1-amine
CID 43293554
2-[[2-(aminomethyl)cyclopentyl]-propylamino]ethanol
CID 61424719
methyl 3-[[2-(aminomethyl)cyclopentyl]-ethylamino]propanoate
CID 63382692
3-[[ethyl(piperidin-3-yl)amino]methyl]pentan-3-ol
CID 114496458
2-(aminomethyl)-N-ethyl-N-(3-methoxy-2-methylpropyl)cyclohexan-1-amine
CID 116502185
1-[2-(aminomethyl)cyclopentyl]-1-ethyl-3,3-dimethylurea
CID 79153079
2-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)cyclopentan-1-amine
CID 60891551
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-2-methoxy-2-methylpropanamide
CID 103021539
2-(aminomethyl)-N-(cyclopropylmethyl)-N-ethylcyclobutan-1-amine
CID 81004788
2-(aminomethyl)-N-ethyl-N-(4-phenylbutyl)cyclopentan-1-amine
CID 114334223
2-(aminomethyl)-N-[(4-chlorothiophen-2-yl)methyl]-N-ethylcyclopentan-1-amine
CID 79428075
2-(aminomethyl)-N-[(2-cyclopropylphenyl)methyl]-N-ethylcyclopentan-1-amine
CID 79982572

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol (CID 114496536) is 3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol is CCN(CC(O)(CC)CC)C1CCCC1CN.
What is the InChIKey of 3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol?
The InChIKey is UVASUCDUZHRJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-4-14(17,5-2)11-16(6-3)13-9-7-8-12(13)10-15/h12-13,17H,4-11,15H2,1-3H3.
What are the key properties of 3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol?
3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol has a molecular weight of 242.41 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(aminomethyl)cyclopentyl]-ethylamino]methyl]pentan-3-ol is sourced from PubChem (CID 114496536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).