2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol

C14H29NO — CID 115895208

IUPAC2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C)CC1CCCC1
InChIInChI=1S/C14H29NO/c1-4-14(3,11-16)10-15-12(2)9-13-7-5-6-8-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyHMUYRWOKJJTQKN-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds7

About 2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol

2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol (PubChem CID 115895208) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol
PubChem CID115895208
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol
SMILESCCC(C)(CO)CNC(C)CC1CCCC1
InChIInChI=1S/C14H29NO/c1-4-14(3,11-16)10-15-12(2)9-13-7-5-6-8-13/h12-13,15-16H,4-11H2,1-3H3
InChIKeyHMUYRWOKJJTQKN-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-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

3-(1-cyclopentylpropan-2-ylamino)-2,2-dimethylpropan-1-ol
CID 115894985
2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol
CID 115895173
2-[(dicyclopropylmethylamino)methyl]-2-methylbutan-1-ol
CID 81411710
2-(1-cyclopentylpropan-2-ylamino)-2-methylpropan-1-ol
CID 115927491
2-[(3,3-dimethylbutan-2-ylamino)methyl]-2-methylbutan-1-ol
CID 115895182
3-(1-cyclopentylpropan-2-ylamino)-3-methylbutan-1-ol
CID 115920606
2-[(but-3-yn-2-ylamino)methyl]-2-methylbutan-1-ol
CID 114415059
3-(1-cyclopentylpropan-2-ylamino)-1,1,1-trifluoropropan-2-ol
CID 115755879
1-cyclopentyl-N-prop-2-ynylpropan-2-amine
CID 115755854
2-[[(4-ethylcyclohexyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81419618
N-(1-cyclobutylpropan-2-yl)-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 115706302
2-methyl-2-[(4-phenylbutan-2-ylamino)methyl]butan-1-ol
CID 81411110

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol?
The IUPAC name of 2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol (CID 115895208) is 2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol is CCC(C)(CO)CNC(C)CC1CCCC1.
What is the InChIKey of 2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol?
The InChIKey is HMUYRWOKJJTQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-14(3,11-16)10-15-12(2)9-13-7-5-6-8-13/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of 2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol?
2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopentylpropan-2-ylamino)methyl]-2-methylbutan-1-ol is sourced from PubChem (CID 115895208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).