N-ethyl-N'-hex-3-enylpentane-1,5-diamine

C13H28N2 — CID 123144490

IUPACN-ethyl-N'-hex-3-enylpentane-1,5-diamine
SMILESCCC=CCCNCCCCCNCC
InChIInChI=1S/C13H28N2/c1-3-5-6-8-12-15-13-10-7-9-11-14-4-2/h5-6,14-15H,3-4,7-13H2,1-2H3
InChIKeyYTNQOMRCNVFYPZ-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.71
Rot. Bonds11

About N-ethyl-N'-hex-3-enylpentane-1,5-diamine

N-ethyl-N'-hex-3-enylpentane-1,5-diamine (PubChem CID 123144490) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N-ethyl-N'-hex-3-enylpentane-1,5-diamine.

Molecular Properties

Compound NameN-ethyl-N'-hex-3-enylpentane-1,5-diamine
PubChem CID123144490
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN-ethyl-N'-hex-3-enylpentane-1,5-diamine
SMILESCCC=CCCNCCCCCNCC
InChIInChI=1S/C13H28N2/c1-3-5-6-8-12-15-13-10-7-9-11-14-4-2/h5-6,14-15H,3-4,7-13H2,1-2H3
InChIKeyYTNQOMRCNVFYPZ-UHFFFAOYSA-N
XLogP2.71
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
N-ethyl-N'-[4-[4-(ethylamino)butylamino]butyl]pentane-1,5-diamine;N-ethyl-N'-[4-[3-(ethylamino)propylamino]butyl]butane-1,4-diamine;N-ethyl-N'-[3-[3-(ethylamino)propylamino]propyl]butane-1,4-diamine
CID 159678925
N,N'-diethylpentane-1,5-diamine
CID 15013244
N'-oct-5-enylhexane-1,6-diamine
CID 90705008
N'-[(Z)-4-[[(Z)-4-[[(Z)-5-(ethylamino)pent-2-enyl]amino]but-2-enyl]amino]but-2-enyl]-N-methylpentane-1,5-diamine
CID 138564613
N,N'-bis[3-(ethylamino)propyl]pentane-1,5-diamine;tetrahydrobromide
CID 86261000
(Z)-N-propylhept-4-en-1-amine
CID 142957499
N-ethyl-N'-[4-[4-[4-[[(E)-4-[4-[4-[4-[4-(ethylamino)butylamino]butylamino]butylamino]butylamino]but-2-enyl]amino]butylamino]butylamino]butyl]butane-1,4-diamine
CID 6476700
(Z)-N-ethylundec-9-en-1-amine
CID 144898184
3-[[(E)-dec-7-enyl]amino]propanenitrile
CID 101282869
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
N-ethyl-N'-[4-[[(Z)-4-[4-(ethylamino)butylamino]but-2-enyl]amino]butyl]butane-1,4-diamine;pentahydrochloride
CID 52944190

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-hex-3-enylpentane-1,5-diamine?
The IUPAC name of N-ethyl-N'-hex-3-enylpentane-1,5-diamine (CID 123144490) is N-ethyl-N'-hex-3-enylpentane-1,5-diamine.
What is the SMILES notation for N-ethyl-N'-hex-3-enylpentane-1,5-diamine?
The canonical SMILES for N-ethyl-N'-hex-3-enylpentane-1,5-diamine is CCC=CCCNCCCCCNCC.
What is the InChIKey of N-ethyl-N'-hex-3-enylpentane-1,5-diamine?
The InChIKey is YTNQOMRCNVFYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-3-5-6-8-12-15-13-10-7-9-11-14-4-2/h5-6,14-15H,3-4,7-13H2,1-2H3.
What are the key properties of N-ethyl-N'-hex-3-enylpentane-1,5-diamine?
N-ethyl-N'-hex-3-enylpentane-1,5-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.71, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-hex-3-enylpentane-1,5-diamine is sourced from PubChem (CID 123144490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).