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

C9H22N2 — CID 42933682

IUPAC3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)C
InChIInChI=1S/C9H22N2/c1-5-8(6-2)9(7-10)11(3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyKSMHCPGLPFFCFA-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.31
Rot. Bonds5

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

3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 42933682) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID42933682
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CN)N(C)C
InChIInChI=1S/C9H22N2/c1-5-8(6-2)9(7-10)11(3)4/h8-9H,5-7,10H2,1-4H3
InChIKeyKSMHCPGLPFFCFA-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine (CID 42933682) is 3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CN)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is KSMHCPGLPFFCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-5-8(6-2)9(7-10)11(3)4/h8-9H,5-7,10H2,1-4H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 42933682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).