(5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane

C14H25N — CID 142259013

IUPAC(5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane
SMILESC=CC(=C=C/C=C\C)CN(C)C.CCC
InChIInChI=1S/C11H17N.C3H8/c1-5-7-8-9-11(6-2)10-12(3)4;1-3-2/h5-8H,2,10H2,1,3-4H3;3H2,1-2H3/b7-5-;
InChIKeyHEBMJZMRDCZJDY-YJOCEBFMSA-N
MW207.36 g/mol
LogP3.81
Rot. Bonds4

About (5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane

(5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane (PubChem CID 142259013) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane.

Molecular Properties

Compound Name(5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane
PubChem CID142259013
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane
SMILESC=CC(=C=C/C=C\C)CN(C)C.CCC
InChIInChI=1S/C11H17N.C3H8/c1-5-7-8-9-11(6-2)10-12(3)4;1-3-2/h5-8H,2,10H2,1,3-4H3;3H2,1-2H3/b7-5-;
InChIKeyHEBMJZMRDCZJDY-YJOCEBFMSA-N
XLogP3.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Diethyl-2-methylidenebut-3-en-1-amine
CID 14644961
N,N-Dimethyl-2-methylidenebut-3-en-1-amine
CID 14907803
o-Lithiodimethylbenzylamine
CID 10866427
2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
2-Methylidene-N,N-dipropylbut-3-en-1-amine
CID 18512648
N-butyl-4-methylpyridine
CID 20650803
2-Diethylaminomethylphenyllithium
CID 21399648
2-[(Diethylamino)methyl]phenylmagnesium bromide, 0.25M in THF
CID 57533218
2-Methylene-3-butenyltrimethylammonium chloride
CID 129671470
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine
CID 138737220
N'-[(2Z)-2-ethenyl-3-fluoro-5-methylhexa-2,4-dienyl]-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 144309589

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane?
The IUPAC name of (5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane (CID 142259013) is (5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane.
What is the SMILES notation for (5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane?
The canonical SMILES for (5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane is C=CC(=C=C/C=C\C)CN(C)C.CCC.
What is the InChIKey of (5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane?
The InChIKey is HEBMJZMRDCZJDY-YJOCEBFMSA-N. The full InChI is InChI=1S/C11H17N.C3H8/c1-5-7-8-9-11(6-2)10-12(3)4;1-3-2/h5-8H,2,10H2,1,3-4H3;3H2,1-2H3/b7-5-;.
What are the key properties of (5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane?
(5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane has a molecular weight of 207.36 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-ethenyl-N,N-dimethylhepta-2,3,5-trien-1-amine;propane is sourced from PubChem (CID 142259013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).