1-N,1-N'-dipropylbutane-1,1-diamine

C10H24N2 — CID 154626428

IUPAC1-N,1-N'-dipropylbutane-1,1-diamine
SMILESCCCNC(CCC)NCCC
InChIInChI=1S/C10H24N2/c1-4-7-10(11-8-5-2)12-9-6-3/h10-12H,4-9H2,1-3H3
InChIKeySBZDLZVSZZXTBC-UHFFFAOYSA-N
MW172.32 g/mol
LogP2.11
Rot. Bonds8

About 1-N,1-N'-dipropylbutane-1,1-diamine

1-N,1-N'-dipropylbutane-1,1-diamine (PubChem CID 154626428) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 1-N,1-N'-dipropylbutane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dipropylbutane-1,1-diamine
PubChem CID154626428
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name1-N,1-N'-dipropylbutane-1,1-diamine
SMILESCCCNC(CCC)NCCC
InChIInChI=1S/C10H24N2/c1-4-7-10(11-8-5-2)12-9-6-3/h10-12H,4-9H2,1-3H3
InChIKeySBZDLZVSZZXTBC-UHFFFAOYSA-N
XLogP2.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1-N,1-N'-dipropylbutane-1,1-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,1-N'-bis(2-aminoethyl)butane-1,1-diamine
CID 141030992
1-N'-butan-2-yl-1-N-propylbutane-1,1-diamine
CID 154626252
(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
2-N-[1-[2,2-bis(methylamino)ethylamino]butyl]-1-N,1-N'-dimethylethane-1,1,2-triamine
CID 57293793
1-nitroso-N-propylbutan-1-amine
CID 23620026
3-N-propylhexane-1,3-diamine
CID 88724695
1-(3-hydroxyhexylamino)hexan-3-ol
CID 19936302
N,6-dipropylnon-1-en-5-amine
CID 104987362
2-(2,2-dipropylhydrazinyl)-1-N,1-N'-dipropylethane-1,1-diamine
CID 175162320
1-methoxy-N-propylhexan-3-amine
CID 61412304
CID 59694519
CID 59694519
methanamine;N-propan-2-ylpropan-1-amine
CID 156646096

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dipropylbutane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dipropylbutane-1,1-diamine (CID 154626428) is 1-N,1-N'-dipropylbutane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dipropylbutane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dipropylbutane-1,1-diamine is CCCNC(CCC)NCCC.
What is the InChIKey of 1-N,1-N'-dipropylbutane-1,1-diamine?
The InChIKey is SBZDLZVSZZXTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-4-7-10(11-8-5-2)12-9-6-3/h10-12H,4-9H2,1-3H3.
What are the key properties of 1-N,1-N'-dipropylbutane-1,1-diamine?
1-N,1-N'-dipropylbutane-1,1-diamine has a molecular weight of 172.32 g/mol, XLogP of 2.11, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dipropylbutane-1,1-diamine is sourced from PubChem (CID 154626428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).