(3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine

C17H26N2 — CID 142603276

IUPAC(3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine
SMILESC/C=C(C(\CCC)=C(/C)C(C)CN)/c1ccncc1
InChIInChI=1S/C17H26N2/c1-5-7-17(14(4)13(3)12-18)16(6-2)15-8-10-19-11-9-15/h6,8-11,13H,5,7,12,18H2,1-4H3/b16-6-,17-14+
InChIKeyXKVQGEKZAZMJFR-ORTCBAPCSA-N
MW258.41 g/mol
LogP4.20
Rot. Bonds6

About (3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine

(3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine (PubChem CID 142603276) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine
PubChem CID142603276
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine
SMILESC/C=C(C(\CCC)=C(/C)C(C)CN)/c1ccncc1
InChIInChI=1S/C17H26N2/c1-5-7-17(14(4)13(3)12-18)16(6-2)15-8-10-19-11-9-15/h6,8-11,13H,5,7,12,18H2,1-4H3/b16-6-,17-14+
InChIKeyXKVQGEKZAZMJFR-ORTCBAPCSA-N
XLogP4.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine with MolForge

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Launch Full Analysis

Related Compounds

(Z)-3-pyridin-4-ylbut-2-en-1-amine
CID 63970722
(2E,4Z)-2,3-dimethyl-4-pyridin-4-ylhexa-2,4-dienal
CID 142878844
pentan-2-one;pyridine-4-carboxylic acid
CID 174864210
4-amino-2-methyl-1-pyridin-4-ylbutan-1-one
CID 116916055
butane;1-pyridin-4-ylethanone
CID 174655632
4-[(2S)-pentan-2-yl]pyridine
CID 166675231
4-amino-3-methyl-1-pyridin-4-ylbutan-2-one
CID 116564669
N-[(Z)-pentan-2-ylideneamino]pyridine-4-carboxamide
CID 6114549
(Z)-2-propyl-3-pyridin-4-ylhex-2-enenitrile
CID 101355868
2-N-propan-2-yl-2-N-pyridin-4-ylpropane-1,2-diamine
CID 83830535
1-pyridin-4-ylbutan-1-imine
CID 59020939
N-(1-pyridin-4-ylpentylidene)hydroxylamine
CID 154164009

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine?
The IUPAC name of (3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine (CID 142603276) is (3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine.
What is the SMILES notation for (3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine?
The canonical SMILES for (3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine is C/C=C(C(\CCC)=C(/C)C(C)CN)/c1ccncc1.
What is the InChIKey of (3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine?
The InChIKey is XKVQGEKZAZMJFR-ORTCBAPCSA-N. The full InChI is InChI=1S/C17H26N2/c1-5-7-17(14(4)13(3)12-18)16(6-2)15-8-10-19-11-9-15/h6,8-11,13H,5,7,12,18H2,1-4H3/b16-6-,17-14+.
What are the key properties of (3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine?
(3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine has a molecular weight of 258.41 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2,3-dimethyl-4-propyl-5-pyridin-4-ylhepta-3,5-dien-1-amine is sourced from PubChem (CID 142603276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).