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

C9H19N — CID 134992592

IUPAC(E)-N,N-dimethylhept-2-en-2-amine
SMILESCCCC/C=C(\C)N(C)C
InChIInChI=1S/C9H19N/c1-5-6-7-8-9(2)10(3)4/h8H,5-7H2,1-4H3/b9-8+
InChIKeyXWWOYLJDYZTXTP-CMDGGOBGSA-N
MW141.26 g/mol
LogP2.64
Rot. Bonds4

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

(E)-N,N-dimethylhept-2-en-2-amine (PubChem CID 134992592) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-N,N-dimethylhept-2-en-2-amine.

Molecular Properties

Compound Name(E)-N,N-dimethylhept-2-en-2-amine
PubChem CID134992592
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-N,N-dimethylhept-2-en-2-amine
SMILESCCCC/C=C(\C)N(C)C
InChIInChI=1S/C9H19N/c1-5-6-7-8-9(2)10(3)4/h8H,5-7H2,1-4H3/b9-8+
InChIKeyXWWOYLJDYZTXTP-CMDGGOBGSA-N
XLogP2.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethylcyclopent-1-en-1-amine
CID 14610479
2-Pyrroline, 2-n-butyl-1-methyl-
CID 18179222
(1-Ethyl-propenyl)-dimethyl-amine
CID 5370379
(E)-3-(Dimethylamino)-2-pentene
CID 5463125
N,N-dibutylcyclopenten-1-amine
CID 15470679
Dimethylazasqualene
CID 129689809
N,N-dimethyloct-2-en-2-amine
CID 170848040
N,N-dimethylpent-2-en-3-amine
CID 141698
Cyclohexen-1-yl(trimethyl)azanium
CID 419639
N,N-dimethylhex-3-en-3-amine
CID 12124831
(2E)-N,N-dimethylhepta-2,6-dien-3-amine
CID 12347315
(E)-N,N-diethylpent-2-en-3-amine
CID 12664029

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethylhept-2-en-2-amine?
The IUPAC name of (E)-N,N-dimethylhept-2-en-2-amine (CID 134992592) is (E)-N,N-dimethylhept-2-en-2-amine.
What is the SMILES notation for (E)-N,N-dimethylhept-2-en-2-amine?
The canonical SMILES for (E)-N,N-dimethylhept-2-en-2-amine is CCCC/C=C(\C)N(C)C.
What is the InChIKey of (E)-N,N-dimethylhept-2-en-2-amine?
The InChIKey is XWWOYLJDYZTXTP-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H19N/c1-5-6-7-8-9(2)10(3)4/h8H,5-7H2,1-4H3/b9-8+.
What are the key properties of (E)-N,N-dimethylhept-2-en-2-amine?
(E)-N,N-dimethylhept-2-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethylhept-2-en-2-amine is sourced from PubChem (CID 134992592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).