1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol

C13H28N2O — CID 106284770

IUPAC1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC1CCCC1CN
InChIInChI=1S/C13H28N2O/c1-3-10(4-2)13(16)9-15-12-7-5-6-11(12)8-14/h10-13,15-16H,3-9,14H2,1-2H3
InChIKeySJMXUIZQXVHHDM-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.50
Rot. Bonds7

About 1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol

1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol (PubChem CID 106284770) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol
PubChem CID106284770
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol
SMILESCCC(CC)C(O)CNC1CCCC1CN
InChIInChI=1S/C13H28N2O/c1-3-10(4-2)13(16)9-15-12-7-5-6-11(12)8-14/h10-13,15-16H,3-9,14H2,1-2H3
InChIKeySJMXUIZQXVHHDM-UHFFFAOYSA-N
XLogP1.50
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile
CID 106285223
2-(aminomethyl)-N-octylcyclopentan-1-amine
CID 115566940
N-[2-(aminomethyl)cyclohexyl]-2-methylbutanamide;hydrochloride
CID 119609146
1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol
CID 106285917
1-[[2-(aminomethyl)cyclopentyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106246114
1-[(2-ethylcyclopentyl)amino]pentan-2-ol
CID 115719434
1-cyclopentyl-2-[(2-ethylcyclopentyl)amino]ethanol
CID 115890580
3-ethyl-1-[[3-(2-methylpropyl)cyclohexyl]amino]pentan-2-ol
CID 106284636
N-[2-(aminomethyl)cyclopentyl]-2-ethylbutane-1-sulfonamide
CID 119985622
N-[2-(aminomethyl)cyclopentyl]-3-ethylheptanamide;hydrochloride
CID 119602350
[(1S,2R)-2-(aminomethyl)cyclopentyl]urea
CID 94903973
2-amino-N-[2-(aminomethyl)cyclopentyl]propanamide
CID 130609723

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol?
The IUPAC name of 1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol (CID 106284770) is 1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol.
What is the SMILES notation for 1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol?
The canonical SMILES for 1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol is CCC(CC)C(O)CNC1CCCC1CN.
What is the InChIKey of 1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol?
The InChIKey is SJMXUIZQXVHHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-10(4-2)13(16)9-15-12-7-5-6-11(12)8-14/h10-13,15-16H,3-9,14H2,1-2H3.
What are the key properties of 1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol?
1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(aminomethyl)cyclopentyl]amino]-3-ethylpentan-2-ol is sourced from PubChem (CID 106284770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).