3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol

C10H24N2O — CID 64900510

IUPAC3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol
SMILESCCCN(CC(N)CCO)C(C)C
InChIInChI=1S/C10H24N2O/c1-4-6-12(9(2)3)8-10(11)5-7-13/h9-10,13H,4-8,11H2,1-3H3
InChIKeyRQCSTZBRZRFOSP-UHFFFAOYSA-N
MW188.31 g/mol
LogP0.82
Rot. Bonds7

About 3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol

3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol (PubChem CID 64900510) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is 3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol.

Molecular Properties

Compound Name3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol
PubChem CID64900510
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC Name3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol
SMILESCCCN(CC(N)CCO)C(C)C
InChIInChI=1S/C10H24N2O/c1-4-6-12(9(2)3)8-10(11)5-7-13/h9-10,13H,4-8,11H2,1-3H3
InChIKeyRQCSTZBRZRFOSP-UHFFFAOYSA-N
XLogP0.82
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-4-[propan-2-yl(propyl)amino]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

(2R)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 103934466
1-N-propan-2-yl-1-N-propylbutane-1,3-diamine
CID 43269493
3-amino-4-(dibutylamino)butan-1-ol
CID 64900069
(2R)-1-[propan-2-yl(propyl)amino]propan-2-ol
CID 103934934
2-[4-aminobutan-2-yl(propyl)amino]ethanol
CID 61424926
3-amino-4-[methyl(2-methylpropyl)amino]butan-1-ol
CID 64900718
5-methoxy-1-N-(2-methoxyethyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 82951400
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
CID 161031770
1-N,1-N-dipropylpentane-1,2-diamine
CID 43650406
3-(ethylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64900116
decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol
CID 159290129
2-[4-aminopentyl(propyl)amino]ethanol
CID 45357637

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol?
The IUPAC name of 3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol (CID 64900510) is 3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol.
What is the SMILES notation for 3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol?
The canonical SMILES for 3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol is CCCN(CC(N)CCO)C(C)C.
What is the InChIKey of 3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol?
The InChIKey is RQCSTZBRZRFOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-4-6-12(9(2)3)8-10(11)5-7-13/h9-10,13H,4-8,11H2,1-3H3.
What are the key properties of 3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol?
3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol has a molecular weight of 188.31 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol is sourced from PubChem (CID 64900510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).