(Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine

C11H20N2 — CID 167237914

IUPAC(Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine
SMILES[H]/N=C(\C=C/C)C(C=C)CCN(C)C
InChIInChI=1S/C11H20N2/c1-5-7-11(12)10(6-2)8-9-13(3)4/h5-7,10,12H,2,8-9H2,1,3-4H3/b7-5-,12-11+
InChIKeyJBUORESCVUKEQT-OUGSFWIESA-N
MW180.29 g/mol
LogP2.34
Rot. Bonds6

About (Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine

(Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine (PubChem CID 167237914) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine
PubChem CID167237914
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine
SMILES[H]/N=C(\C=C/C)C(C=C)CCN(C)C
InChIInChI=1S/C11H20N2/c1-5-7-11(12)10(6-2)8-9-13(3)4/h5-7,10,12H,2,8-9H2,1,3-4H3/b7-5-,12-11+
InChIKeyJBUORESCVUKEQT-OUGSFWIESA-N
XLogP2.34
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine?
The IUPAC name of (Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine (CID 167237914) is (Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine.
What is the SMILES notation for (Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine?
The canonical SMILES for (Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine is [H]/N=C(\C=C/C)C(C=C)CCN(C)C.
What is the InChIKey of (Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine?
The InChIKey is JBUORESCVUKEQT-OUGSFWIESA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-11(12)10(6-2)8-9-13(3)4/h5-7,10,12H,2,8-9H2,1,3-4H3/b7-5-,12-11+.
What are the key properties of (Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine?
(Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-ethenyl-4-imino-N,N-dimethylhept-5-en-1-amine is sourced from PubChem (CID 167237914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).