(E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine

C12H24N2 — CID 146522662

IUPAC(E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine
SMILESC/C=C\C(=C/CC)C(N)CCN(C)C
InChIInChI=1S/C12H24N2/c1-5-7-11(8-6-2)12(13)9-10-14(3)4/h5,7-8,12H,6,9-10,13H2,1-4H3/b7-5-,11-8+
InChIKeySGXCEEVBAFXHCZ-UKJSTWFMSA-N
MW196.34 g/mol
LogP2.18
Rot. Bonds6

About (E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine

(E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine (PubChem CID 146522662) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine
PubChem CID146522662
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine
SMILESC/C=C\C(=C/CC)C(N)CCN(C)C
InChIInChI=1S/C12H24N2/c1-5-7-11(8-6-2)12(13)9-10-14(3)4/h5,7-8,12H,6,9-10,13H2,1-4H3/b7-5-,11-8+
InChIKeySGXCEEVBAFXHCZ-UKJSTWFMSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine?
The IUPAC name of (E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine (CID 146522662) is (E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine.
What is the SMILES notation for (E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine?
The canonical SMILES for (E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine is C/C=C\C(=C/CC)C(N)CCN(C)C.
What is the InChIKey of (E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine?
The InChIKey is SGXCEEVBAFXHCZ-UKJSTWFMSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-7-11(8-6-2)12(13)9-10-14(3)4/h5,7-8,12H,6,9-10,13H2,1-4H3/b7-5-,11-8+.
What are the key properties of (E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine?
(E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-N,1-N-dimethyl-4-[(Z)-prop-1-enyl]hept-4-ene-1,3-diamine is sourced from PubChem (CID 146522662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).