(Z)-hex-4-ene-3,3-diamine

C6H14N2 — CID 90219122

IUPAC(Z)-hex-4-ene-3,3-diamine
SMILESC/C=C\C(N)(N)CC
InChIInChI=1S/C6H14N2/c1-3-5-6(7,8)4-2/h3,5H,4,7-8H2,1-2H3/b5-3-
InChIKeyUNFSYDLGJIMYLG-HYXAFXHYSA-N
MW114.19 g/mol
LogP0.59
Rot. Bonds2

About (Z)-hex-4-ene-3,3-diamine

(Z)-hex-4-ene-3,3-diamine (PubChem CID 90219122) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is (Z)-hex-4-ene-3,3-diamine.

Molecular Properties

Compound Name(Z)-hex-4-ene-3,3-diamine
PubChem CID90219122
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Name(Z)-hex-4-ene-3,3-diamine
SMILESC/C=C\C(N)(N)CC
InChIInChI=1S/C6H14N2/c1-3-5-6(7,8)4-2/h3,5H,4,7-8H2,1-2H3/b5-3-
InChIKeyUNFSYDLGJIMYLG-HYXAFXHYSA-N
XLogP0.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethylhex-4-en-3-amine
CID 174912899
(E,2S)-2-amino-2-ethylpent-3-enoic acid
CID 55284732
3-ethylhex-4-en-3-ol
CID 54219311
pent-3-ene-2,2-diamine
CID 154022958
(Z)-4,4-diethyl-5-methylhex-2-ene
CID 59911296
(E)-4,4-difluorohept-2-ene;ethane
CID 143807036
4,4,6,6-tetramethyloct-2-ene
CID 123519288
1-(1,1-diaminopropoxy)propane-1,1-diamine
CID 19360642
4-methyl-4-propylhept-2-ene
CID 123389519
hex-1-ene-3,3-diamine
CID 167559937
3-aminopent-1-ene-3-thiol
CID 123736018
(E)-2-amino-2-(fluoromethyl)pent-3-enenitrile
CID 14597126

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-4-ene-3,3-diamine?
The IUPAC name of (Z)-hex-4-ene-3,3-diamine (CID 90219122) is (Z)-hex-4-ene-3,3-diamine.
What is the SMILES notation for (Z)-hex-4-ene-3,3-diamine?
The canonical SMILES for (Z)-hex-4-ene-3,3-diamine is C/C=C\C(N)(N)CC.
What is the InChIKey of (Z)-hex-4-ene-3,3-diamine?
The InChIKey is UNFSYDLGJIMYLG-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H14N2/c1-3-5-6(7,8)4-2/h3,5H,4,7-8H2,1-2H3/b5-3-.
What are the key properties of (Z)-hex-4-ene-3,3-diamine?
(Z)-hex-4-ene-3,3-diamine has a molecular weight of 114.19 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-4-ene-3,3-diamine is sourced from PubChem (CID 90219122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).