3-ethylnonane-3,6-diamine

C11H26N2 — CID 87587189

IUPAC3-ethylnonane-3,6-diamine
SMILESCCCC(N)CCC(N)(CC)CC
InChIInChI=1S/C11H26N2/c1-4-7-10(12)8-9-11(13,5-2)6-3/h10H,4-9,12-13H2,1-3H3
InChIKeyRQZRVXDNTCMTJQ-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.41
Rot. Bonds7

About 3-ethylnonane-3,6-diamine

3-ethylnonane-3,6-diamine (PubChem CID 87587189) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is 3-ethylnonane-3,6-diamine.

Molecular Properties

Compound Name3-ethylnonane-3,6-diamine
PubChem CID87587189
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Name3-ethylnonane-3,6-diamine
SMILESCCCC(N)CCC(N)(CC)CC
InChIInChI=1S/C11H26N2/c1-4-7-10(12)8-9-11(13,5-2)6-3/h10H,4-9,12-13H2,1-3H3
InChIKeyRQZRVXDNTCMTJQ-UHFFFAOYSA-N
XLogP2.41
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-1,1,1-trifluoroheptan-4-amine
CID 104932458
azane;heptan-4-amine
CID 118430725
6-ethyl-2-methyloctane-3,6-diamine
CID 87586167
azane;3-ethylhexan-3-amine
CID 18676269
3-ethylheptan-3-amine
CID 12708037
(4R)-tridecan-4-amine
CID 150614684
6-ethylundecan-6-amine
CID 173250227
3-ethyloctan-3-amine
CID 19350108
1-iodohexan-3-amine
CID 126638870
5-ethylnonan-5-amine;hydrochloride
CID 174766496
ethane;hexan-3-amine
CID 143616305
3-ethylpentane-1,3-diamine
CID 22019015

Frequently Asked Questions

What is the IUPAC name of 3-ethylnonane-3,6-diamine?
The IUPAC name of 3-ethylnonane-3,6-diamine (CID 87587189) is 3-ethylnonane-3,6-diamine.
What is the SMILES notation for 3-ethylnonane-3,6-diamine?
The canonical SMILES for 3-ethylnonane-3,6-diamine is CCCC(N)CCC(N)(CC)CC.
What is the InChIKey of 3-ethylnonane-3,6-diamine?
The InChIKey is RQZRVXDNTCMTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2/c1-4-7-10(12)8-9-11(13,5-2)6-3/h10H,4-9,12-13H2,1-3H3.
What are the key properties of 3-ethylnonane-3,6-diamine?
3-ethylnonane-3,6-diamine has a molecular weight of 186.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylnonane-3,6-diamine is sourced from PubChem (CID 87587189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).