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

C21H37N — CID 88928154

IUPACN-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
SMILESC=C(C=C(C)C)N(CCCC)CC1CC1(C)CCC=C(C)C
InChIInChI=1S/C21H37N/c1-8-9-13-22(19(6)14-18(4)5)16-20-15-21(20,7)12-10-11-17(2)3/h11,14,20H,6,8-10,12-13,15-16H2,1-5,7H3
InChIKeyAUEUAWPBIDURQB-UHFFFAOYSA-N
MW303.53 g/mol
LogP6.34
Rot. Bonds10

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

N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine (PubChem CID 88928154) has the molecular formula C21H37N and a molecular weight of 303.53 g/mol. Its IUPAC name is N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine.

Molecular Properties

Compound NameN-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
PubChem CID88928154
Molecular FormulaC21H37N
Molecular Weight303.53 g/mol
Exact Mass303.29
IUPAC NameN-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
SMILESC=C(C=C(C)C)N(CCCC)CC1CC1(C)CCC=C(C)C
InChIInChI=1S/C21H37N/c1-8-9-13-22(19(6)14-18(4)5)16-20-15-21(20,7)12-10-11-17(2)3/h11,14,20H,6,8-10,12-13,15-16H2,1-5,7H3
InChIKeyAUEUAWPBIDURQB-UHFFFAOYSA-N
XLogP6.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.53
LogP ≤ 56.34
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 N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
The IUPAC name of N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine (CID 88928154) is N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine.
What is the SMILES notation for N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
The canonical SMILES for N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine is C=C(C=C(C)C)N(CCCC)CC1CC1(C)CCC=C(C)C.
What is the InChIKey of N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
The InChIKey is AUEUAWPBIDURQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N/c1-8-9-13-22(19(6)14-18(4)5)16-20-15-21(20,7)12-10-11-17(2)3/h11,14,20H,6,8-10,12-13,15-16H2,1-5,7H3.
What are the key properties of N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine?
N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine has a molecular weight of 303.53 g/mol, XLogP of 6.34, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine is sourced from PubChem (CID 88928154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).