4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol

C11H24N2O — CID 106841329

IUPAC4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol
SMILESCC1CCC(CN)(NCCCCO)C1
InChIInChI=1S/C11H24N2O/c1-10-4-5-11(8-10,9-12)13-6-2-3-7-14/h10,13-14H,2-9,12H2,1H3
InChIKeyQSXWQIMADJOEQY-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.87
Rot. Bonds6

About 4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol

4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol (PubChem CID 106841329) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol
PubChem CID106841329
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol
SMILESCC1CCC(CN)(NCCCCO)C1
InChIInChI=1S/C11H24N2O/c1-10-4-5-11(8-10,9-12)13-6-2-3-7-14/h10,13-14H,2-9,12H2,1H3
InChIKeyQSXWQIMADJOEQY-UHFFFAOYSA-N
XLogP0.87
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol
CID 106841176
4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol
CID 106841338
3-[[4-(aminomethyl)-2-methyloxan-4-yl]amino]propan-1-ol
CID 65378451
3-[[1-(aminomethyl)-3-propan-2-ylcyclohexyl]amino]propan-1-ol
CID 107449168
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
CID 65377199
[1-(heptylamino)-4-methylcyclohexyl]methanol
CID 55086742
[4-methyl-1-(octylamino)cyclohexyl]methanol
CID 63476632
3-[[1-(aminomethyl)-4-propylcycloheptyl]amino]propan-1-ol
CID 65377207
1-(aminomethyl)-3-methyl-N-propan-2-ylcyclopentan-1-amine
CID 64500541
4-[[3-(aminomethyl)-5,5-dimethylthian-3-yl]amino]butan-1-ol
CID 106841301
1-(aminomethyl)-N-but-3-ynyl-3-methylcyclohexan-1-amine
CID 116641321
1-(3-hydroxypropylamino)-4-methylcyclohexane-1-carboxylic acid
CID 114989050

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol?
The IUPAC name of 4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol (CID 106841329) is 4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol?
The canonical SMILES for 4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol is CC1CCC(CN)(NCCCCO)C1.
What is the InChIKey of 4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol?
The InChIKey is QSXWQIMADJOEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10-4-5-11(8-10,9-12)13-6-2-3-7-14/h10,13-14H,2-9,12H2,1H3.
What are the key properties of 4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol?
4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol is sourced from PubChem (CID 106841329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).