2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine

C23H33N — CID 138744858

IUPAC2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine
SMILESCCC=CC1(C2CC=c3ccccc3=C2N(C)C)CC1(C)CCC
InChIInChI=1S/C23H33N/c1-6-8-16-23(17-22(23,3)15-7-2)20-14-13-18-11-9-10-12-19(18)21(20)24(4)5/h8-13,16,20H,6-7,14-15,17H2,1-5H3
InChIKeyOWHWPACJJAYPDR-UHFFFAOYSA-N
MW323.52 g/mol
LogP4.32
Rot. Bonds6

About 2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine

2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine (PubChem CID 138744858) has the molecular formula C23H33N and a molecular weight of 323.52 g/mol. Its IUPAC name is 2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine.

Molecular Properties

Compound Name2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine
PubChem CID138744858
Molecular FormulaC23H33N
Molecular Weight323.52 g/mol
Exact Mass323.26
IUPAC Name2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine
SMILESCCC=CC1(C2CC=c3ccccc3=C2N(C)C)CC1(C)CCC
InChIInChI=1S/C23H33N/c1-6-8-16-23(17-22(23,3)15-7-2)20-14-13-18-11-9-10-12-19(18)21(20)24(4)5/h8-13,16,20H,6-7,14-15,17H2,1-5H3
InChIKeyOWHWPACJJAYPDR-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine with MolForge

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Related Compounds

N-[3-ethenyl-2-(3-fluoropentyl)-3-propylheptyl]-4-ethyl-N,3,5-trimethylcyclohexa-1,2,5-trien-1-amine
CID 123490671
3-[2-[2-[(3Z)-2,3-dimethylhexa-3,5-dienyl]-3-methylidenecyclopropyl]ethyl]-2-[(3E)-4-(4-fluorocyclohexa-2,4-dien-1-yl)buta-1,3-dien-2-yl]-N,N-dimethyl-3-propylcyclopropen-1-amine
CID 166689104
n,n-Dimethyl-1-(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233424
2-methyl-N-[[2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropyl]methyl]-N-prop-1-en-2-ylpropan-1-amine
CID 68302060
N-[[2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropyl]methyl]-N-prop-2-enylprop-1-en-2-amine
CID 68302117
N-[(2-cyclohex-3-en-1-ylcyclopropyl)methyl]-3,3-dimethyl-N-(2-methylpropyl)but-1-en-2-amine
CID 68302401
N-butyl-N-[(2-cyclohex-3-en-1-ylcyclopropyl)methyl]-3,3-dimethylbut-1-en-2-amine
CID 68302402
N-[[2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropyl]methyl]-N-prop-1-en-2-ylpropan-1-amine
CID 68302419
N-[[2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropyl]methyl]-N-prop-1-en-2-ylbutan-1-amine
CID 68302558
N-(1-cyclopropylideneethyl)-N-[[2-methyl-2-(4-methylcyclohex-3-en-1-yl)cyclopropyl]methyl]propan-1-amine
CID 68302563
4-methyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]-N-prop-2-enylpenta-1,3-dien-2-amine
CID 88928101
(3E)-N-butyl-N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]penta-1,3-dien-2-amine
CID 88928204

Frequently Asked Questions

What is the IUPAC name of 2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine?
The IUPAC name of 2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine (CID 138744858) is 2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine.
What is the SMILES notation for 2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine?
The canonical SMILES for 2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine is CCC=CC1(C2CC=c3ccccc3=C2N(C)C)CC1(C)CCC.
What is the InChIKey of 2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine?
The InChIKey is OWHWPACJJAYPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N/c1-6-8-16-23(17-22(23,3)15-7-2)20-14-13-18-11-9-10-12-19(18)21(20)24(4)5/h8-13,16,20H,6-7,14-15,17H2,1-5H3.
What are the key properties of 2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine?
2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine has a molecular weight of 323.52 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-but-1-enyl-2-methyl-2-propylcyclopropyl)-N,N-dimethyl-2,3-dihydronaphthalen-1-amine is sourced from PubChem (CID 138744858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).