(3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine

C19H31N — CID 155129175

IUPAC(3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine
SMILESC=C(/C=C(\CC(C)C1=CCCC(C)C1=C)C(C)C)NC
InChIInChI=1S/C19H31N/c1-13(2)18(12-16(5)20-7)11-15(4)19-10-8-9-14(3)17(19)6/h10,12-15,20H,5-6,8-9,11H2,1-4,7H3/b18-12+
InChIKeyCZGWMWDYDUKURS-LDADJPATSA-N
MW273.46 g/mol
LogP5.24
Rot. Bonds6

About (3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine

(3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine (PubChem CID 155129175) has the molecular formula C19H31N and a molecular weight of 273.46 g/mol. Its IUPAC name is (3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine
PubChem CID155129175
Molecular FormulaC19H31N
Molecular Weight273.46 g/mol
Exact Mass273.25
IUPAC Name(3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine
SMILESC=C(/C=C(\CC(C)C1=CCCC(C)C1=C)C(C)C)NC
InChIInChI=1S/C19H31N/c1-13(2)18(12-16(5)20-7)11-15(4)19-10-8-9-14(3)17(19)6/h10,12-15,20H,5-6,8-9,11H2,1-4,7H3/b18-12+
InChIKeyCZGWMWDYDUKURS-LDADJPATSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine?
The IUPAC name of (3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine (CID 155129175) is (3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine is C=C(/C=C(\CC(C)C1=CCCC(C)C1=C)C(C)C)NC.
What is the InChIKey of (3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine?
The InChIKey is CZGWMWDYDUKURS-LDADJPATSA-N. The full InChI is InChI=1S/C19H31N/c1-13(2)18(12-16(5)20-7)11-15(4)19-10-8-9-14(3)17(19)6/h10,12-15,20H,5-6,8-9,11H2,1-4,7H3/b18-12+.
What are the key properties of (3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine?
(3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine has a molecular weight of 273.46 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-methyl-6-(5-methyl-6-methylidenecyclohexen-1-yl)-4-propan-2-ylhepta-1,3-dien-2-amine is sourced from PubChem (CID 155129175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).