(E)-N-ethenyl-N-methylhex-3-en-3-amine

C9H17N — CID 163671868

IUPAC(E)-N-ethenyl-N-methylhex-3-en-3-amine
SMILESC=CN(C)/C(=C/CC)CC
InChIInChI=1S/C9H17N/c1-5-8-9(6-2)10(4)7-3/h7-8H,3,5-6H2,1-2,4H3/b9-8+
InChIKeyJDGGTMNVOHQJPU-CMDGGOBGSA-N
MW139.24 g/mol
LogP2.77
Rot. Bonds4

About (E)-N-ethenyl-N-methylhex-3-en-3-amine

(E)-N-ethenyl-N-methylhex-3-en-3-amine (PubChem CID 163671868) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-N-ethenyl-N-methylhex-3-en-3-amine.

Molecular Properties

Compound Name(E)-N-ethenyl-N-methylhex-3-en-3-amine
PubChem CID163671868
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-N-ethenyl-N-methylhex-3-en-3-amine
SMILESC=CN(C)/C(=C/CC)CC
InChIInChI=1S/C9H17N/c1-5-8-9(6-2)10(4)7-3/h7-8H,3,5-6H2,1-2,4H3/b9-8+
InChIKeyJDGGTMNVOHQJPU-CMDGGOBGSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-ethenyl-N-methylhex-3-en-3-amine?
The IUPAC name of (E)-N-ethenyl-N-methylhex-3-en-3-amine (CID 163671868) is (E)-N-ethenyl-N-methylhex-3-en-3-amine.
What is the SMILES notation for (E)-N-ethenyl-N-methylhex-3-en-3-amine?
The canonical SMILES for (E)-N-ethenyl-N-methylhex-3-en-3-amine is C=CN(C)/C(=C/CC)CC.
What is the InChIKey of (E)-N-ethenyl-N-methylhex-3-en-3-amine?
The InChIKey is JDGGTMNVOHQJPU-CMDGGOBGSA-N. The full InChI is InChI=1S/C9H17N/c1-5-8-9(6-2)10(4)7-3/h7-8H,3,5-6H2,1-2,4H3/b9-8+.
What are the key properties of (E)-N-ethenyl-N-methylhex-3-en-3-amine?
(E)-N-ethenyl-N-methylhex-3-en-3-amine has a molecular weight of 139.24 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethenyl-N-methylhex-3-en-3-amine is sourced from PubChem (CID 163671868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).