(2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol

C15H31NO — CID 143973005

IUPAC(2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol
SMILESC[C@@H](CO)CCNC(C)(C)CC(C)(C)C1CC1
InChIInChI=1S/C15H31NO/c1-12(10-17)8-9-16-15(4,5)11-14(2,3)13-6-7-13/h12-13,16-17H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyCROYHNCIVYWRAD-GFCCVEGCSA-N
MW241.42 g/mol
LogP3.20
Rot. Bonds8

About (2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol

(2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol (PubChem CID 143973005) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is (2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name(2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol
PubChem CID143973005
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name(2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol
SMILESC[C@@H](CO)CCNC(C)(C)CC(C)(C)C1CC1
InChIInChI=1S/C15H31NO/c1-12(10-17)8-9-16-15(4,5)11-14(2,3)13-6-7-13/h12-13,16-17H,6-11H2,1-5H3/t12-/m1/s1
InChIKeyCROYHNCIVYWRAD-GFCCVEGCSA-N
XLogP3.20
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-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

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol?
The IUPAC name of (2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol (CID 143973005) is (2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol.
What is the SMILES notation for (2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol?
The canonical SMILES for (2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol is C[C@@H](CO)CCNC(C)(C)CC(C)(C)C1CC1.
What is the InChIKey of (2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol?
The InChIKey is CROYHNCIVYWRAD-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H31NO/c1-12(10-17)8-9-16-15(4,5)11-14(2,3)13-6-7-13/h12-13,16-17H,6-11H2,1-5H3/t12-/m1/s1.
What are the key properties of (2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol?
(2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol has a molecular weight of 241.42 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(4-cyclopropyl-2,4-dimethylpentan-2-yl)amino]-2-methylbutan-1-ol is sourced from PubChem (CID 143973005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).