(Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine

C9H20N2 — CID 134291651

IUPAC(Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine
SMILESCC/C=C\[C@@H](C)C(CN)NC
InChIInChI=1S/C9H20N2/c1-4-5-6-8(2)9(7-10)11-3/h5-6,8-9,11H,4,7,10H2,1-3H3/b6-5-/t8-,9?/m1/s1
InChIKeyHIXVHBSJNJMHTI-DVSVKTLJSA-N
MW156.27 g/mol
LogP1.14
Rot. Bonds5

About (Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine

(Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine (PubChem CID 134291651) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is (Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine.

Molecular Properties

Compound Name(Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine
PubChem CID134291651
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name(Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine
SMILESCC/C=C\[C@@H](C)C(CN)NC
InChIInChI=1S/C9H20N2/c1-4-5-6-8(2)9(7-10)11-3/h5-6,8-9,11H,4,7,10H2,1-3H3/b6-5-/t8-,9?/m1/s1
InChIKeyHIXVHBSJNJMHTI-DVSVKTLJSA-N
XLogP1.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylhept-4-en-2-ol
CID 90779417
(E)-2-but-2-enyl-3-methylhept-4-en-1-amine
CID 155278552
(1E,5R,6S,7Z)-2-N,4,5,6-tetramethyldeca-1,7-diene-1,2-diamine
CID 163656366
(E)-hex-3-en-2-amine;hydrochloride
CID 55289622
(E)-2-(methylamino)hex-3-en-1-ol
CID 144566486
1-(2-amino-1-nitrosoethoxy)-N-methyl-1-nitrosobutan-2-amine
CID 163634211
(3Z,6Z)-N-methylnona-3,6-dien-2-amine
CID 139549250
N-methylhept-4-en-2-amine
CID 123748755
(Z)-5-methylhept-3-ene
CID 5364727
4-methylpent-2-ene-1,5-diamine
CID 154632735
(E)-2-bromohex-3-ene
CID 15881334
methyl 2-methylhex-3-enoate
CID 544076

Frequently Asked Questions

What is the IUPAC name of (Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine?
The IUPAC name of (Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine (CID 134291651) is (Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine.
What is the SMILES notation for (Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine?
The canonical SMILES for (Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine is CC/C=C\[C@@H](C)C(CN)NC.
What is the InChIKey of (Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine?
The InChIKey is HIXVHBSJNJMHTI-DVSVKTLJSA-N. The full InChI is InChI=1S/C9H20N2/c1-4-5-6-8(2)9(7-10)11-3/h5-6,8-9,11H,4,7,10H2,1-3H3/b6-5-/t8-,9?/m1/s1.
What are the key properties of (Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine?
(Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine is sourced from PubChem (CID 134291651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).