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

C8H20N2 — CID 62066397

IUPAC2-N-ethyl-3-methylpentane-1,2-diamine
SMILESCCNC(CN)C(C)CC
InChIInChI=1S/C8H20N2/c1-4-7(3)8(6-9)10-5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyQFMYFJUUNSDGTM-UHFFFAOYSA-N
MW144.26 g/mol
LogP0.97
Rot. Bonds5

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

2-N-ethyl-3-methylpentane-1,2-diamine (PubChem CID 62066397) has the molecular formula C8H20N2 and a molecular weight of 144.26 g/mol. Its IUPAC name is 2-N-ethyl-3-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-3-methylpentane-1,2-diamine
PubChem CID62066397
Molecular FormulaC8H20N2
Molecular Weight144.26 g/mol
Exact Mass144.16
IUPAC Name2-N-ethyl-3-methylpentane-1,2-diamine
SMILESCCNC(CN)C(C)CC
InChIInChI=1S/C8H20N2/c1-4-7(3)8(6-9)10-5-2/h7-8,10H,4-6,9H2,1-3H3
InChIKeyQFMYFJUUNSDGTM-UHFFFAOYSA-N
XLogP0.97
TPSA38.05 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 ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,5-dimethylheptan-4-amine
CID 63717421
3-[(1-amino-3-methylpentan-2-yl)amino]propan-1-ol
CID 65378666
N-ethyl-3,6-dimethyloctan-4-amine
CID 63717606
5-[(1-amino-3-methylpentan-2-yl)amino]pentan-1-ol
CID 107316964
N-ethyl-5-methylhept-1-yn-4-amine
CID 63717234
1-(2,2-difluoroethoxy)-N-ethyl-4-methylhexan-3-amine
CID 103149557
N-ethyl-3,5-dimethylheptan-4-amine
CID 79446924
1-(1-ethoxypropan-2-yloxy)-N-ethyl-3-methylpentan-2-amine
CID 103487691
N-ethyl-6-methoxy-4-methylhexan-3-amine
CID 63561367
3-ethyl-2-N-(2-methylpropyl)pentane-1,2-diamine
CID 65386054
3-methyl-2-N-(4-methylphenyl)pentane-1,2-diamine
CID 65377551
3-(ethylamino)pentane-2-thiol
CID 55286178

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-3-methylpentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-3-methylpentane-1,2-diamine (CID 62066397) is 2-N-ethyl-3-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-3-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-3-methylpentane-1,2-diamine is CCNC(CN)C(C)CC.
What is the InChIKey of 2-N-ethyl-3-methylpentane-1,2-diamine?
The InChIKey is QFMYFJUUNSDGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2/c1-4-7(3)8(6-9)10-5-2/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 2-N-ethyl-3-methylpentane-1,2-diamine?
2-N-ethyl-3-methylpentane-1,2-diamine has a molecular weight of 144.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-3-methylpentane-1,2-diamine is sourced from PubChem (CID 62066397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).