3-ethyl-2-methylpentane-1,5-diamine

C8H20N2 — CID 88540021

IUPAC3-ethyl-2-methylpentane-1,5-diamine
SMILESCCC(CCN)C(C)CN
InChIInChI=1S/C8H20N2/c1-3-8(4-5-9)7(2)6-10/h7-8H,3-6,9-10H2,1-2H3
InChIKeyKPBBTSQAHDYOMW-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.96
Rot. Bonds5

About 3-ethyl-2-methylpentane-1,5-diamine

3-ethyl-2-methylpentane-1,5-diamine (PubChem CID 88540021) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 3-ethyl-2-methylpentane-1,5-diamine.

Molecular Properties

Compound Name3-ethyl-2-methylpentane-1,5-diamine
PubChem CID88540021
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name3-ethyl-2-methylpentane-1,5-diamine
SMILESCCC(CCN)C(C)CN
InChIInChI=1S/C8H20N2/c1-3-8(4-5-9)7(2)6-10/h7-8H,3-6,9-10H2,1-2H3
InChIKeyKPBBTSQAHDYOMW-UHFFFAOYSA-N
XLogP0.96
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-4-methylhexan-1-amine
CID 123538643
3-ethyl-2-methylhexan-1-amine
CID 91121737
4-ethyl-3-methylheptan-1-amine
CID 143231179
(3R,4R)-4-ethyl-6-methoxy-3-methylhexan-1-amine
CID 143550229
2-propan-2-ylbutane-1,4-diamine
CID 55281823
(3R,4R)-5-amino-3-ethyl-4-methylpentanoic acid
CID 163817933
(3S)-2,3-dimethylbutane-1,4-diamine
CID 87997033
3-ethyl-N,2-dimethylhexane-1,6-diamine
CID 167243609
5-ethyl-4-methylundecan-1-amine
CID 123603936
(3R,4R)-6-amino-4-methylhexan-3-ol
CID 96637634
2-ethyl-3-methoxybutan-1-amine
CID 88936076
(4R)-3-ethyl-4-methylhexane
CID 59954491

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylpentane-1,5-diamine?
The IUPAC name of 3-ethyl-2-methylpentane-1,5-diamine (CID 88540021) is 3-ethyl-2-methylpentane-1,5-diamine.
What is the SMILES notation for 3-ethyl-2-methylpentane-1,5-diamine?
The canonical SMILES for 3-ethyl-2-methylpentane-1,5-diamine is CCC(CCN)C(C)CN.
What is the InChIKey of 3-ethyl-2-methylpentane-1,5-diamine?
The InChIKey is KPBBTSQAHDYOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-3-8(4-5-9)7(2)6-10/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 3-ethyl-2-methylpentane-1,5-diamine?
3-ethyl-2-methylpentane-1,5-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methylpentane-1,5-diamine is sourced from PubChem (CID 88540021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).