5-ethylheptane-1,2-diamine

C9H22N2 — CID 57197564

IUPAC5-ethylheptane-1,2-diamine
SMILESCCC(CC)CCC(N)CN
InChIInChI=1S/C9H22N2/c1-3-8(4-2)5-6-9(11)7-10/h8-9H,3-7,10-11H2,1-2H3
InChIKeyDGJLGKDJHMWPEQ-UHFFFAOYSA-N
MW158.29 g/mol
LogP1.49
Rot. Bonds6

About 5-ethylheptane-1,2-diamine

5-ethylheptane-1,2-diamine (PubChem CID 57197564) has the molecular formula C9H22N2 and a molecular weight of 158.29 g/mol. Its IUPAC name is 5-ethylheptane-1,2-diamine.

Molecular Properties

Compound Name5-ethylheptane-1,2-diamine
PubChem CID57197564
Molecular FormulaC9H22N2
Molecular Weight158.29 g/mol
Exact Mass158.18
IUPAC Name5-ethylheptane-1,2-diamine
SMILESCCC(CC)CCC(N)CN
InChIInChI=1S/C9H22N2/c1-3-8(4-2)5-6-9(11)7-10/h8-9H,3-7,10-11H2,1-2H3
InChIKeyDGJLGKDJHMWPEQ-UHFFFAOYSA-N
XLogP1.49
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-diethyloctane
CID 526424
2-ethylpropane-1,3-diamine
CID 14499053
(2R)-decane-1,2-diamine
CID 102595281
decane-1,2-diamine
CID 517618
tetradecane-3,6,9,12-tetramine
CID 140993886
(1S)-1,4,5-triaminopentan-1-ol
CID 88903954
(2S)-2-(aminomethyl)-5-ethylheptanoic acid
CID 11845860
4-ethylsulfanylbutane-1,2-diamine
CID 116503979
6-ethyl-2-methyloctan-1-amine
CID 169188535
2-propylhexane-1,4-diamine
CID 174915124
dodecane-1,2-diamine;dodecane-1,12-diamine
CID 88743619
3,7-diethylnonane
CID 22089120

Frequently Asked Questions

What is the IUPAC name of 5-ethylheptane-1,2-diamine?
The IUPAC name of 5-ethylheptane-1,2-diamine (CID 57197564) is 5-ethylheptane-1,2-diamine.
What is the SMILES notation for 5-ethylheptane-1,2-diamine?
The canonical SMILES for 5-ethylheptane-1,2-diamine is CCC(CC)CCC(N)CN.
What is the InChIKey of 5-ethylheptane-1,2-diamine?
The InChIKey is DGJLGKDJHMWPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2/c1-3-8(4-2)5-6-9(11)7-10/h8-9H,3-7,10-11H2,1-2H3.
What are the key properties of 5-ethylheptane-1,2-diamine?
5-ethylheptane-1,2-diamine has a molecular weight of 158.29 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylheptane-1,2-diamine is sourced from PubChem (CID 57197564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).