4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol

C9H20N2O — CID 106841338

IUPAC4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol
SMILESNCC1(NCCCCO)CCC1
InChIInChI=1S/C9H20N2O/c10-8-9(4-3-5-9)11-6-1-2-7-12/h11-12H,1-8,10H2
InChIKeyAOLMJJFDKKGKJO-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.23
Rot. Bonds6

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

4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol (PubChem CID 106841338) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol
PubChem CID106841338
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol
SMILESNCC1(NCCCCO)CCC1
InChIInChI=1S/C9H20N2O/c10-8-9(4-3-5-9)11-6-1-2-7-12/h11-12H,1-8,10H2
InChIKeyAOLMJJFDKKGKJO-UHFFFAOYSA-N
XLogP0.23
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(1-ethylcyclobutyl)amino]hexan-1-ol
CID 107703649
4-[[1-(aminomethyl)-4-methoxycyclohexyl]amino]butan-1-ol
CID 106841176
4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol
CID 106841329
3-[[1-(aminomethyl)-4-propan-2-ylcycloheptyl]amino]propan-1-ol
CID 65377199
3-[[1-(aminomethyl)-4-propylcycloheptyl]amino]propan-1-ol
CID 65377207
1-(aminomethyl)-N-(4-hydroxybutyl)cyclobutane-1-carboxamide
CID 106842065
3-[[1-(aminomethyl)-3-propan-2-ylcyclohexyl]amino]propan-1-ol
CID 107449168
4-[[3-(aminomethyl)-5,5-dimethylthian-3-yl]amino]butan-1-ol
CID 106841301
N-[1-(aminomethyl)cyclobutyl]-N',N'-dimethylethane-1,2-diamine
CID 79520919
3-[[4-(aminomethyl)-2,2-dimethyloxan-4-yl]amino]propan-1-ol
CID 65378452
[1-[3-(dimethylamino)propylamino]cyclobutyl]methanol
CID 114525313
2-[[4-(aminomethyl)-1,1-dioxothian-4-yl]amino]ethanol
CID 65382561

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol?
The IUPAC name of 4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol (CID 106841338) is 4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol?
The canonical SMILES for 4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol is NCC1(NCCCCO)CCC1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol?
The InChIKey is AOLMJJFDKKGKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c10-8-9(4-3-5-9)11-6-1-2-7-12/h11-12H,1-8,10H2.
What are the key properties of 4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol?
4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.23, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclobutyl]amino]butan-1-ol is sourced from PubChem (CID 106841338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).