4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine

C20H33N — CID 88928101

IUPAC4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine
SMILESC=CCN(CC1CC1(C)CCC=C(C)C)C(=C)C=C(C)C
InChIInChI=1S/C20H33N/c1-8-12-21(18(6)13-17(4)5)15-19-14-20(19,7)11-9-10-16(2)3/h8,10,13,19H,1,6,9,11-12,14-15H2,2-5,7H3
InChIKeyPKHSPSDRAQWMDY-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.73
Rot. Bonds9

About 4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine

4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine (PubChem CID 88928101) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine
PubChem CID88928101
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine
SMILESC=CCN(CC1CC1(C)CCC=C(C)C)C(=C)C=C(C)C
InChIInChI=1S/C20H33N/c1-8-12-21(18(6)13-17(4)5)15-19-14-20(19,7)11-9-10-16(2)3/h8,10,13,19H,1,6,9,11-12,14-15H2,2-5,7H3
InChIKeyPKHSPSDRAQWMDY-UHFFFAOYSA-N
XLogP5.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine?
The IUPAC name of 4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine (CID 88928101) is 4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine.
What is the SMILES notation for 4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine?
The canonical SMILES for 4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine is C=CCN(CC1CC1(C)CCC=C(C)C)C(=C)C=C(C)C.
What is the InChIKey of 4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine?
The InChIKey is PKHSPSDRAQWMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-8-12-21(18(6)13-17(4)5)15-19-14-20(19,7)11-9-10-16(2)3/h8,10,13,19H,1,6,9,11-12,14-15H2,2-5,7H3.
What are the key properties of 4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine?
4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine has a molecular weight of 287.49 g/mol, XLogP of 5.73, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine is sourced from PubChem (CID 88928101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).