4-N-ethylocta-6,7-diene-1,4-diamine

C10H20N2 — CID 57256181

IUPAC4-N-ethylocta-6,7-diene-1,4-diamine
SMILESC=C=CCC(CCCN)NCC
InChIInChI=1S/C10H20N2/c1-3-5-7-10(12-4-2)8-6-9-11/h5,10,12H,1,4,6-9,11H2,2H3
InChIKeyNLCMUCXQPGGBLK-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.43
Rot. Bonds7

About 4-N-ethylocta-6,7-diene-1,4-diamine

4-N-ethylocta-6,7-diene-1,4-diamine (PubChem CID 57256181) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-N-ethylocta-6,7-diene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethylocta-6,7-diene-1,4-diamine
PubChem CID57256181
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name4-N-ethylocta-6,7-diene-1,4-diamine
SMILESC=C=CCC(CCCN)NCC
InChIInChI=1S/C10H20N2/c1-3-5-7-10(12-4-2)8-6-9-11/h5,10,12H,1,4,6-9,11H2,2H3
InChIKeyNLCMUCXQPGGBLK-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N-(3-aminopropyl)-2-N-ethylpentane-1,2,5-triamine
CID 10805361
8-amino-5-(ethylamino)octan-3-one
CID 170040834
8-amino-5-(ethylamino)-2-methyloctan-3-one
CID 167221921
3-N-[2,2-bis(ethylamino)ethyl]hexane-1,3,6-triamine
CID 54314334
N-(6-aminohexan-3-yl)prop-2-enamide
CID 90258074
N-ethyl-7-ethylsulfonylhept-1-en-4-amine
CID 116660795
docosane;4-N-ethylpentane-1,4-diamine
CID 174439569
N-ethylnonan-3-amine
CID 60996683
N,7-diethylnonan-3-amine
CID 82925508
N-[(3S)-6-aminohexan-3-yl]acetamide
CID 143107836
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
N-ethyldecan-3-amine;dihydrochloride
CID 175708733

Frequently Asked Questions

What is the IUPAC name of 4-N-ethylocta-6,7-diene-1,4-diamine?
The IUPAC name of 4-N-ethylocta-6,7-diene-1,4-diamine (CID 57256181) is 4-N-ethylocta-6,7-diene-1,4-diamine.
What is the SMILES notation for 4-N-ethylocta-6,7-diene-1,4-diamine?
The canonical SMILES for 4-N-ethylocta-6,7-diene-1,4-diamine is C=C=CCC(CCCN)NCC.
What is the InChIKey of 4-N-ethylocta-6,7-diene-1,4-diamine?
The InChIKey is NLCMUCXQPGGBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-5-7-10(12-4-2)8-6-9-11/h5,10,12H,1,4,6-9,11H2,2H3.
What are the key properties of 4-N-ethylocta-6,7-diene-1,4-diamine?
4-N-ethylocta-6,7-diene-1,4-diamine has a molecular weight of 168.28 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethylocta-6,7-diene-1,4-diamine is sourced from PubChem (CID 57256181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).