(1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine

C18H30N4 — CID 134525481

IUPAC(1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine
SMILESC=C1NC(C)=CC(C)=C1CC(=C\CN)/C(C)=C(\N)NC(C)C
InChIInChI=1S/C18H30N4/c1-11(2)21-18(20)14(5)16(7-8-19)10-17-12(3)9-13(4)22-15(17)6/h7,9,11,21-22H,6,8,10,19-20H2,1-5H3/b16-7+,18-14+
InChIKeyRDXYOYWORCVPKJ-WKGGMIEISA-N
MW302.47 g/mol
LogP2.79
Rot. Bonds6

About (1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine

(1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine (PubChem CID 134525481) has the molecular formula C18H30N4 and a molecular weight of 302.47 g/mol. Its IUPAC name is (1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine.

Molecular Properties

Compound Name(1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine
PubChem CID134525481
Molecular FormulaC18H30N4
Molecular Weight302.47 g/mol
Exact Mass302.25
IUPAC Name(1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine
SMILESC=C1NC(C)=CC(C)=C1CC(=C\CN)/C(C)=C(\N)NC(C)C
InChIInChI=1S/C18H30N4/c1-11(2)21-18(20)14(5)16(7-8-19)10-17-12(3)9-13(4)22-15(17)6/h7,9,11,21-22H,6,8,10,19-20H2,1-5H3/b16-7+,18-14+
InChIKeyRDXYOYWORCVPKJ-WKGGMIEISA-N
XLogP2.79
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 52.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine?
The IUPAC name of (1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine (CID 134525481) is (1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine.
What is the SMILES notation for (1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine?
The canonical SMILES for (1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine is C=C1NC(C)=CC(C)=C1CC(=C\CN)/C(C)=C(\N)NC(C)C.
What is the InChIKey of (1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine?
The InChIKey is RDXYOYWORCVPKJ-WKGGMIEISA-N. The full InChI is InChI=1S/C18H30N4/c1-11(2)21-18(20)14(5)16(7-8-19)10-17-12(3)9-13(4)22-15(17)6/h7,9,11,21-22H,6,8,10,19-20H2,1-5H3/b16-7+,18-14+.
What are the key properties of (1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine?
(1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine has a molecular weight of 302.47 g/mol, XLogP of 2.79, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-3-[(4,6-dimethyl-2-methylidene-1H-pyridin-3-yl)methyl]-2-methyl-1-N'-propan-2-ylpenta-1,3-diene-1,1,5-triamine is sourced from PubChem (CID 134525481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).