4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine

C20H35N — CID 88928075

IUPAC4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine
SMILESC=C(C=C(C)C)N(CCC)C[C@@H]1C[C@]1(C)CCC=C(C)C
InChIInChI=1S/C20H35N/c1-8-12-21(18(6)13-17(4)5)15-19-14-20(19,7)11-9-10-16(2)3/h10,13,19H,6,8-9,11-12,14-15H2,1-5,7H3/t19-,20-/m0/s1
InChIKeyZAFMPHUKGKMHLV-PMACEKPBSA-N
MW289.51 g/mol
LogP5.95
Rot. Bonds9

About 4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine

4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine (PubChem CID 88928075) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is 4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine
PubChem CID88928075
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine
SMILESC=C(C=C(C)C)N(CCC)C[C@@H]1C[C@]1(C)CCC=C(C)C
InChIInChI=1S/C20H35N/c1-8-12-21(18(6)13-17(4)5)15-19-14-20(19,7)11-9-10-16(2)3/h10,13,19H,6,8-9,11-12,14-15H2,1-5,7H3/t19-,20-/m0/s1
InChIKeyZAFMPHUKGKMHLV-PMACEKPBSA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.95
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-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine?
The IUPAC name of 4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine (CID 88928075) is 4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine.
What is the SMILES notation for 4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine?
The canonical SMILES for 4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine is C=C(C=C(C)C)N(CCC)C[C@@H]1C[C@]1(C)CCC=C(C)C.
What is the InChIKey of 4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine?
The InChIKey is ZAFMPHUKGKMHLV-PMACEKPBSA-N. The full InChI is InChI=1S/C20H35N/c1-8-12-21(18(6)13-17(4)5)15-19-14-20(19,7)11-9-10-16(2)3/h10,13,19H,6,8-9,11-12,14-15H2,1-5,7H3/t19-,20-/m0/s1.
What are the key properties of 4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine?
4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine has a molecular weight of 289.51 g/mol, XLogP of 5.95, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(1R,2S)-2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-propylpenta-1,3-dien-2-amine is sourced from PubChem (CID 88928075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).