1-N-propan-2-yl-1-N-propylbutane-1,3-diamine

C10H24N2 — CID 43269493

IUPAC1-N-propan-2-yl-1-N-propylbutane-1,3-diamine
SMILESCCCN(CCC(C)N)C(C)C
InChIInChI=1S/C10H24N2/c1-5-7-12(9(2)3)8-6-10(4)11/h9-10H,5-8,11H2,1-4H3
InChIKeyRELNWUAGBOCWMZ-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.84
Rot. Bonds6

About 1-N-propan-2-yl-1-N-propylbutane-1,3-diamine

1-N-propan-2-yl-1-N-propylbutane-1,3-diamine (PubChem CID 43269493) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N-propan-2-yl-1-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-propan-2-yl-1-N-propylbutane-1,3-diamine
PubChem CID43269493
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N-propan-2-yl-1-N-propylbutane-1,3-diamine
SMILESCCCN(CCC(C)N)C(C)C
InChIInChI=1S/C10H24N2/c1-5-7-12(9(2)3)8-6-10(4)11/h9-10H,5-8,11H2,1-4H3
InChIKeyRELNWUAGBOCWMZ-UHFFFAOYSA-N
XLogP1.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-propan-2-yl-1-N-propylbutane-1,3-diamine 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-ethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 43265715
(2R)-1-N-propan-2-yl-1-N-propylpropane-1,2-diamine
CID 103934466
3-amino-4-[propan-2-yl(propyl)amino]butan-1-ol
CID 64900510
1-N-ethyl-1-N-propylbutane-1,3-diamine
CID 43268683
2-methyl-N'-propan-2-yl-N'-propylpentane-1,5-diamine
CID 82682516
1-(4-chlorophenyl)-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62644814
methyl 2-(propan-2-ylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028441
1-N,1-N-di(propan-2-yl)butane-1,3-diamine
CID 57236538
zinc;ethane;N-propan-2-yl-N-propylpropan-1-amine
CID 171588586
(2S)-pentan-2-amine
CID 6997344
4-[propan-2-yl(propyl)amino]-2-(propylamino)butan-1-ol
CID 64795492
methyl 2-(ethylamino)-4-[propan-2-yl(propyl)amino]butanoate
CID 63028254

Frequently Asked Questions

What is the IUPAC name of 1-N-propan-2-yl-1-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N-propan-2-yl-1-N-propylbutane-1,3-diamine (CID 43269493) is 1-N-propan-2-yl-1-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N-propan-2-yl-1-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N-propan-2-yl-1-N-propylbutane-1,3-diamine is CCCN(CCC(C)N)C(C)C.
What is the InChIKey of 1-N-propan-2-yl-1-N-propylbutane-1,3-diamine?
The InChIKey is RELNWUAGBOCWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-7-12(9(2)3)8-6-10(4)11/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 1-N-propan-2-yl-1-N-propylbutane-1,3-diamine?
1-N-propan-2-yl-1-N-propylbutane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-yl-1-N-propylbutane-1,3-diamine is sourced from PubChem (CID 43269493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).