4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol

C15H32N2O — CID 79001448

IUPAC4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(CCC(C)C)C1CC1
InChIInChI=1S/C15H32N2O/c1-4-9-16-14(8-11-18)12-17(15-5-6-15)10-7-13(2)3/h13-16,18H,4-12H2,1-3H3
InChIKeyZHRGXLCIFVFPCI-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.25
Rot. Bonds11

About 4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol

4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol (PubChem CID 79001448) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol
PubChem CID79001448
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(CCC(C)C)C1CC1
InChIInChI=1S/C15H32N2O/c1-4-9-16-14(8-11-18)12-17(15-5-6-15)10-7-13(2)3/h13-16,18H,4-12H2,1-3H3
InChIKeyZHRGXLCIFVFPCI-UHFFFAOYSA-N
XLogP2.25
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-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-cyclopropyl-1-N,2-N-dipropylbutane-1,2-diamine
CID 62040333
4-[cyclohexyl(methyl)amino]-3-(propylamino)butan-1-ol
CID 64899882
4-[methyl(4-methylpentan-2-yl)amino]-3-(propylamino)butan-1-ol
CID 64900556
4-(diethylamino)-3-(propylamino)butan-1-ol
CID 64898153
1-N-cyclopropyl-2-N-propyl-1-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 62044269
4-[cyclohexyl(ethyl)amino]-2-(propylamino)butan-1-ol
CID 64798399
4-[(1-ethylpiperidin-4-yl)-methylamino]-3-(propylamino)butan-1-ol
CID 64898823
2-[cyclopropyl-[4,4-dimethyl-3-(propylamino)pentyl]amino]ethanol
CID 62622852
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
4-[butyl(ethyl)amino]-3-(propylamino)butan-1-ol
CID 64897316
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
1-N-cyclopropyl-2-N-ethyl-3,3-dimethyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78976660

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol?
The IUPAC name of 4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol (CID 79001448) is 4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol is CCCNC(CCO)CN(CCC(C)C)C1CC1.
What is the InChIKey of 4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol?
The InChIKey is ZHRGXLCIFVFPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-4-9-16-14(8-11-18)12-17(15-5-6-15)10-7-13(2)3/h13-16,18H,4-12H2,1-3H3.
What are the key properties of 4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol?
4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol has a molecular weight of 256.43 g/mol, XLogP of 2.25, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol is sourced from PubChem (CID 79001448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).