3-N-butan-2-yl-1-N-methylpentane-1,3-diamine

C10H24N2 — CID 118478770

IUPAC3-N-butan-2-yl-1-N-methylpentane-1,3-diamine
SMILESCCC(C)NC(CC)CCNC
InChIInChI=1S/C10H24N2/c1-5-9(3)12-10(6-2)7-8-11-4/h9-12H,5-8H2,1-4H3
InChIKeyZUVGLTZORVADSI-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.76
Rot. Bonds7

About 3-N-butan-2-yl-1-N-methylpentane-1,3-diamine

3-N-butan-2-yl-1-N-methylpentane-1,3-diamine (PubChem CID 118478770) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-methylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-methylpentane-1,3-diamine
PubChem CID118478770
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name3-N-butan-2-yl-1-N-methylpentane-1,3-diamine
SMILESCCC(C)NC(CC)CCNC
InChIInChI=1S/C10H24N2/c1-5-9(3)12-10(6-2)7-8-11-4/h9-12H,5-8H2,1-4H3
InChIKeyZUVGLTZORVADSI-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-N-butan-2-yl-1-N-methylpentane-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

3-N-butan-2-ylpentane-1,3-diamine
CID 79687854
N-butan-2-ylheptan-4-amine
CID 43190303
N-butan-2-yl-2,6-dimethylheptan-4-amine
CID 43110369
2-N-butan-2-ylbutane-1,2-diamine
CID 65383275
N-[1-(methylamino)pentan-3-yl]formamide
CID 143111562
N,3-dimethylpentan-1-amine;ethane
CID 142089517
2-N-butan-2-yl-1-N,1-N-dimethylbutane-1,2-diamine
CID 129045387
2-N-butan-2-ylpentane-1,2-diamine
CID 65385176
2-N-hexan-3-ylpropane-1,2-diamine
CID 103389738
ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
3-(butan-2-ylamino)-4-(methylamino)butanal
CID 131981698
2-(butan-2-ylamino)undecan-1-ol
CID 114078301

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-methylpentane-1,3-diamine?
The IUPAC name of 3-N-butan-2-yl-1-N-methylpentane-1,3-diamine (CID 118478770) is 3-N-butan-2-yl-1-N-methylpentane-1,3-diamine.
What is the SMILES notation for 3-N-butan-2-yl-1-N-methylpentane-1,3-diamine?
The canonical SMILES for 3-N-butan-2-yl-1-N-methylpentane-1,3-diamine is CCC(C)NC(CC)CCNC.
What is the InChIKey of 3-N-butan-2-yl-1-N-methylpentane-1,3-diamine?
The InChIKey is ZUVGLTZORVADSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-9(3)12-10(6-2)7-8-11-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 3-N-butan-2-yl-1-N-methylpentane-1,3-diamine?
3-N-butan-2-yl-1-N-methylpentane-1,3-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-methylpentane-1,3-diamine is sourced from PubChem (CID 118478770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).