[1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol

C14H24N2O — CID 115247180

IUPAC[1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol
SMILESCC(C)(CNCC1(CO)CCC1)c1cc[nH]c1
InChIInChI=1S/C14H24N2O/c1-13(2,12-4-7-15-8-12)9-16-10-14(11-17)5-3-6-14/h4,7-8,15-17H,3,5-6,9-11H2,1-2H3
InChIKeySGELRQLKMJPVBA-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.04
Rot. Bonds6

About [1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol

[1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol (PubChem CID 115247180) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is [1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol
PubChem CID115247180
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name[1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol
SMILESCC(C)(CNCC1(CO)CCC1)c1cc[nH]c1
InChIInChI=1S/C14H24N2O/c1-13(2,12-4-7-15-8-12)9-16-10-14(11-17)5-3-6-14/h4,7-8,15-17H,3,5-6,9-11H2,1-2H3
InChIKeySGELRQLKMJPVBA-UHFFFAOYSA-N
XLogP2.04
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol 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

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-methyl-2-(1H-pyrrol-3-yl)propan-1-amine
CID 115245998
[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methanol
CID 115229652
2,2-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoic acid
CID 115221241
methyl 4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]butanoate
CID 115233545
[4-[(1H-pyrrol-3-ylmethylamino)methyl]oxan-4-yl]methanol
CID 115751845
1-[[1-(hydroxymethyl)cyclopentyl]methylamino]-2,3-dimethylbutan-2-ol
CID 114493450
3,3-dimethyl-4-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]-4-oxobutanoic acid
CID 115164919
3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2,2-dimethylpropan-1-ol
CID 115454323
2-(hydroxymethyl)-3-methyl-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115187443
2-methyl-N-[[1-(methylaminomethyl)cyclobutyl]methyl]-2-pyridin-3-ylpropan-1-amine
CID 115246344
2-[[2-methyl-2-(1H-pyrrol-3-yl)propyl]carbamoyl]butanoic acid
CID 115186116
4-(methylamino)-N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]butanamide
CID 115155852

Frequently Asked Questions

What is the IUPAC name of [1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol (CID 115247180) is [1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol is CC(C)(CNCC1(CO)CCC1)c1cc[nH]c1.
What is the InChIKey of [1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol?
The InChIKey is SGELRQLKMJPVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13(2,12-4-7-15-8-12)9-16-10-14(11-17)5-3-6-14/h4,7-8,15-17H,3,5-6,9-11H2,1-2H3.
What are the key properties of [1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol?
[1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol has a molecular weight of 236.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[2-methyl-2-(1H-pyrrol-3-yl)propyl]amino]methyl]cyclobutyl]methanol is sourced from PubChem (CID 115247180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).