(E)-N,6-dimethylhept-3-en-2-amine

C9H19N — CID 167073805

IUPAC(E)-N,6-dimethylhept-3-en-2-amine
SMILESCNC(C)/C=C/CC(C)C
InChIInChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h5,7-10H,6H2,1-4H3/b7-5+
InChIKeyXFRFPIXONJDSGP-FNORWQNLSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds4

About (E)-N,6-dimethylhept-3-en-2-amine

(E)-N,6-dimethylhept-3-en-2-amine (PubChem CID 167073805) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-N,6-dimethylhept-3-en-2-amine.

Molecular Properties

Compound Name(E)-N,6-dimethylhept-3-en-2-amine
PubChem CID167073805
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-N,6-dimethylhept-3-en-2-amine
SMILESCNC(C)/C=C/CC(C)C
InChIInChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h5,7-10H,6H2,1-4H3/b7-5+
InChIKeyXFRFPIXONJDSGP-FNORWQNLSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,6-dimethylhept-3-ene
CID 5364654
5-(methylamino)hex-3-en-1-ol
CID 173195791
(E)-2,6-dimethylhept-3-ene;methane
CID 158228697
(3Z,6Z)-N-methylnona-3,6-dien-2-amine
CID 139549250
(3E)-N,7-dimethylnona-3,8-dien-2-amine
CID 163884829
(E,7R)-7-(methylamino)oct-5-en-2-one
CID 164724479
(Z)-but-2-ene;ethane;(E)-N-methylpent-3-en-2-amine
CID 142924416
(E)-1-bromo-3,7-dimethyloct-4-ene
CID 13192474
(3E,5E,7E)-2,10-dimethylundeca-3,5,7-triene
CID 58373550
ethane;(E)-5-methylhex-2-ene
CID 143114143
(E)-4-methylpent-1-en-1-ol
CID 22598252
(Z)-5-methyl-N-(3-methylbutyl)hex-2-en-1-amine
CID 177068155

Frequently Asked Questions

What is the IUPAC name of (E)-N,6-dimethylhept-3-en-2-amine?
The IUPAC name of (E)-N,6-dimethylhept-3-en-2-amine (CID 167073805) is (E)-N,6-dimethylhept-3-en-2-amine.
What is the SMILES notation for (E)-N,6-dimethylhept-3-en-2-amine?
The canonical SMILES for (E)-N,6-dimethylhept-3-en-2-amine is CNC(C)/C=C/CC(C)C.
What is the InChIKey of (E)-N,6-dimethylhept-3-en-2-amine?
The InChIKey is XFRFPIXONJDSGP-FNORWQNLSA-N. The full InChI is InChI=1S/C9H19N/c1-8(2)6-5-7-9(3)10-4/h5,7-10H,6H2,1-4H3/b7-5+.
What are the key properties of (E)-N,6-dimethylhept-3-en-2-amine?
(E)-N,6-dimethylhept-3-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,6-dimethylhept-3-en-2-amine is sourced from PubChem (CID 167073805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).