(1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine

C13H24N2 — CID 143178459

IUPAC(1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine
SMILESC/C=C\C=C/C(C)=C(\N)N(CC)CCC
InChIInChI=1S/C13H24N2/c1-5-8-9-10-12(4)13(14)15(7-3)11-6-2/h5,8-10H,6-7,11,14H2,1-4H3/b8-5-,10-9-,13-12+
InChIKeyQEZHSFDBEUJXGJ-KJHAOGDPSA-N
MW208.35 g/mol
LogP3.04
Rot. Bonds6

About (1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine

(1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine (PubChem CID 143178459) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is (1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine.

Molecular Properties

Compound Name(1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine
PubChem CID143178459
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name(1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine
SMILESC/C=C\C=C/C(C)=C(\N)N(CC)CCC
InChIInChI=1S/C13H24N2/c1-5-8-9-10-12(4)13(14)15(7-3)11-6-2/h5,8-10H,6-7,11,14H2,1-4H3/b8-5-,10-9-,13-12+
InChIKeyQEZHSFDBEUJXGJ-KJHAOGDPSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.04
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-[(2Z,4Z,6Z,8Z)-cyclonona-2,4,6,8-tetraen-1-ylidene]-N',N'-diethyl-N,N-dimethylmethanediamine
CID 13484281
1-cyclopenta-2,4-dien-1-ylidene-N,N-dimethyl-N',N'-di(propan-2-yl)methanediamine
CID 134923776
(1Z,3Z)-1-N',1-N'-dipropyl-2-(trifluoromethyl)penta-1,3-diene-1,1-diamine
CID 143502750
[5-[(E)-but-1-enyl]-4-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridin-1-yl]methanamine
CID 70309386
(1R,2E)-1-N'-[(Z)-but-2-en-2-yl]-1-N'-ethyl-2-[(Z)-pent-2-enylidene]propane-1,1,3-triamine
CID 88976883
(1E,3Z)-1-N',1-N'-diethyl-3-methylhexa-1,3,5-triene-1,1-diamine
CID 89170105
N'-ethyl-N'-[(Z)-pent-3-enyl]methanediamine
CID 89360277
N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine
CID 90796897
1-N',1-N'-bis(2-methylidenepent-3-enyl)prop-2-ene-1,1-diamine
CID 91001797
1-N'-[(Z)-2-methylidenepent-3-enyl]ethane-1,1-diamine
CID 118181212
2-ethenyl-1-N'-[(Z,2E)-2-ethylidenepent-3-enyl]-1-N-methylbuta-1,3-diene-1,1-diamine
CID 129272968
1-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydropyrrol-5-amine
CID 130347219

Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine?
The IUPAC name of (1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine (CID 143178459) is (1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine.
What is the SMILES notation for (1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine?
The canonical SMILES for (1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine is C/C=C\C=C/C(C)=C(\N)N(CC)CCC.
What is the InChIKey of (1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine?
The InChIKey is QEZHSFDBEUJXGJ-KJHAOGDPSA-N. The full InChI is InChI=1S/C13H24N2/c1-5-8-9-10-12(4)13(14)15(7-3)11-6-2/h5,8-10H,6-7,11,14H2,1-4H3/b8-5-,10-9-,13-12+.
What are the key properties of (1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine?
(1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine has a molecular weight of 208.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-1-N'-ethyl-2-methyl-1-N'-propylhepta-1,3,5-triene-1,1-diamine is sourced from PubChem (CID 143178459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).