(1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine

C16H26N2 — CID 166649585

IUPAC(1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine
SMILESCCC/C(=C\C=C/N)CCN1C(C)=CC=CC1C
InChIInChI=1S/C16H26N2/c1-4-7-16(10-6-12-17)11-13-18-14(2)8-5-9-15(18)3/h5-6,8-10,12,14H,4,7,11,13,17H2,1-3H3/b12-6-,16-10+
InChIKeyVPSUVBFAWMEYSP-CPTACKAJSA-N
MW246.40 g/mol
LogP3.74
Rot. Bonds6

About (1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine

(1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine (PubChem CID 166649585) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is (1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine
PubChem CID166649585
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name(1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine
SMILESCCC/C(=C\C=C/N)CCN1C(C)=CC=CC1C
InChIInChI=1S/C16H26N2/c1-4-7-16(10-6-12-17)11-13-18-14(2)8-5-9-15(18)3/h5-6,8-10,12,14H,4,7,11,13,17H2,1-3H3/b12-6-,16-10+
InChIKeyVPSUVBFAWMEYSP-CPTACKAJSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.74
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 (1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine (CID 166649585) is (1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine is CCC/C(=C\C=C/N)CCN1C(C)=CC=CC1C.
What is the InChIKey of (1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine?
The InChIKey is VPSUVBFAWMEYSP-CPTACKAJSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-7-16(10-6-12-17)11-13-18-14(2)8-5-9-15(18)3/h5-6,8-10,12,14H,4,7,11,13,17H2,1-3H3/b12-6-,16-10+.
What are the key properties of (1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine?
(1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-[2-(2,6-dimethyl-2H-pyridin-1-yl)ethyl]hepta-1,3-dien-1-amine is sourced from PubChem (CID 166649585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).