(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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Related Compounds

1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
(Z,5Z)-2-N-(2,2-difluorobutyl)-5-ethylidene-8-fluoro-2-N-methyloct-3-ene-2,7-diamine
CID 129313875
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-1-methylpiperidin-4-amine
CID 145515573
N-[(2E)-2-[(Z)-3-fluoroprop-1-enyl]penta-2,4-dienyl]-1-methylpiperidin-4-amine
CID 145520189
N-[(3Z,5E)-5-fluoro-2-methylidenehepta-3,5-dienyl]-1-methylpiperidin-4-amine
CID 164158806
(2E)-2-(1-fluoroethylidene)-1-N-methyl-3-N-[(1Z,3E)-penta-1,3-dienyl]hexane-1,3-diamine
CID 167006446
N,N'-diethyl-N'-[(5E,11Z,13E)-13-fluoro-10-methylidene-6-[(Z)-prop-1-enyl]pentadeca-5,11,13-trien-7-yl]propane-1,3-diamine
CID 170059178
(5E)-6-fluoro-1-N,1-N,2-N-trimethyl-4-methylideneocta-5,7-diene-1,2-diamine
CID 142063945
1-N-ethyl-3-N-[(Z,2E)-2-ethylidene-5-fluoropent-3-enyl]-1-N-methylbutane-1,3-diamine
CID 143209313
1-cyclopenta-1,3-dien-1-yl-N-methylethanamine
CID 12564950

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).