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

C9H19N — CID 89198102

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

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

(E)-N,N-dimethylhept-3-en-3-amine (PubChem CID 89198102) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-N,N-dimethylhept-3-en-3-amine.

Molecular Properties

Compound Name(E)-N,N-dimethylhept-3-en-3-amine
PubChem CID89198102
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-N,N-dimethylhept-3-en-3-amine
SMILESCCC/C=C(\CC)N(C)C
InChIInChI=1S/C9H19N/c1-5-7-8-9(6-2)10(3)4/h8H,5-7H2,1-4H3/b9-8+
InChIKeyKKQKCODAWRSVJS-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

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethylhept-3-en-3-amine?
The IUPAC name of (E)-N,N-dimethylhept-3-en-3-amine (CID 89198102) is (E)-N,N-dimethylhept-3-en-3-amine.
What is the SMILES notation for (E)-N,N-dimethylhept-3-en-3-amine?
The canonical SMILES for (E)-N,N-dimethylhept-3-en-3-amine is CCC/C=C(\CC)N(C)C.
What is the InChIKey of (E)-N,N-dimethylhept-3-en-3-amine?
The InChIKey is KKQKCODAWRSVJS-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H19N/c1-5-7-8-9(6-2)10(3)4/h8H,5-7H2,1-4H3/b9-8+.
What are the key properties of (E)-N,N-dimethylhept-3-en-3-amine?
(E)-N,N-dimethylhept-3-en-3-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-3-en-3-amine is sourced from PubChem (CID 89198102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).