3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol

C10H22N2O — CID 83177389

IUPAC3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol
SMILESCC(CCO)NC1(CN)CCCC1
InChIInChI=1S/C10H22N2O/c1-9(4-7-13)12-10(8-11)5-2-3-6-10/h9,12-13H,2-8,11H2,1H3
InChIKeyDITBMKNKJHABAJ-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.62
Rot. Bonds5

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

3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol (PubChem CID 83177389) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol
PubChem CID83177389
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol
SMILESCC(CCO)NC1(CN)CCCC1
InChIInChI=1S/C10H22N2O/c1-9(4-7-13)12-10(8-11)5-2-3-6-10/h9,12-13H,2-8,11H2,1H3
InChIKeyDITBMKNKJHABAJ-UHFFFAOYSA-N
XLogP0.62
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(aminomethyl)-3-methylcyclohexyl]amino]butan-1-ol
CID 83176449
4-[[1-(aminomethyl)cyclopropyl]amino]pentan-1-ol
CID 106661332
3-[[1-(aminomethyl)-3-methylcyclobutyl]amino]butan-1-ol
CID 103563118
4-[[1-(hydroxymethyl)cyclopentyl]amino]pentan-1-ol
CID 115976095
1-(aminomethyl)-N-but-3-yn-2-ylcyclobutan-1-amine
CID 114415847
3-[[2-(aminomethyl)-7-methoxy-3,4-dihydro-1H-naphthalen-2-yl]amino]butan-1-ol
CID 83177752
[1-(6-methylhept-5-en-2-ylamino)cyclopropyl]methanol
CID 115929605
1-(aminomethyl)-N-butan-2-yl-4-ethylcycloheptan-1-amine
CID 65385598
N-(4-hydroxybutan-2-yl)-1-methylcyclopentane-1-carboxamide
CID 115283457
3-[1-(aminomethyl)cyclobutyl]butan-1-ol
CID 71758156
1-(aminomethyl)-N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 65385184
[1-(3-methylbutylamino)cyclopentyl]methanol
CID 62523608

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol?
The IUPAC name of 3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol (CID 83177389) is 3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol.
What is the SMILES notation for 3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol?
The canonical SMILES for 3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol is CC(CCO)NC1(CN)CCCC1.
What is the InChIKey of 3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol?
The InChIKey is DITBMKNKJHABAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-9(4-7-13)12-10(8-11)5-2-3-6-10/h9,12-13H,2-8,11H2,1H3.
What are the key properties of 3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol?
3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol has a molecular weight of 186.30 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(aminomethyl)cyclopentyl]amino]butan-1-ol is sourced from PubChem (CID 83177389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).