2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol

C9H20N2O — CID 80562093

IUPAC2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC1CC(N)C1
InChIInChI=1S/C9H20N2O/c1-6(2)9(5-12)11-8-3-7(10)4-8/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyVVVAQMPWWKBQJG-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.08
Rot. Bonds4

About 2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol

2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol (PubChem CID 80562093) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol
PubChem CID80562093
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol
SMILESCC(C)C(CO)NC1CC(N)C1
InChIInChI=1S/C9H20N2O/c1-6(2)9(5-12)11-8-3-7(10)4-8/h6-9,11-12H,3-5,10H2,1-2H3
InChIKeyVVVAQMPWWKBQJG-UHFFFAOYSA-N
XLogP0.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[(3-aminocyclobutyl)amino]-3-methylbutan-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

1-N-[1-(dimethylamino)-3-methylbutan-2-yl]cyclobutane-1,3-diamine
CID 80560519
(2S)-2-[(4,4-dimethylcyclohexyl)amino]-3-methylbutan-1-ol
CID 79254694
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)-3-methylbutan-1-ol
CID 79254765
(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
CID 79253287
3-methyl-2-[(3,3,5-trimethylcyclohexyl)amino]butan-1-ol
CID 79253848
4-[(1-hydroxy-3-methylbutan-2-yl)amino]piperidine-1-carboxamide
CID 79253533
2-[(3-ethylcyclopentyl)amino]-3-methylpentan-1-ol
CID 115891675
(2S)-3-methyl-2-(pyrrolidin-3-ylamino)butan-1-ol
CID 79742166
3-methyl-2-(oxolan-3-ylamino)butan-1-ol
CID 79254853
(2S)-2-[(1,1-dioxothian-4-yl)amino]-3-methylbutan-1-ol
CID 79253470
1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
CID 79254180
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 80705967

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol?
The IUPAC name of 2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol (CID 80562093) is 2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol is CC(C)C(CO)NC1CC(N)C1.
What is the InChIKey of 2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol?
The InChIKey is VVVAQMPWWKBQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-6(2)9(5-12)11-8-3-7(10)4-8/h6-9,11-12H,3-5,10H2,1-2H3.
What are the key properties of 2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol?
2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol has a molecular weight of 172.27 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminocyclobutyl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 80562093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).