2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine

C19H35N — CID 131721846

IUPAC2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
SMILESCCCC(C)C1(C(C)CCC)C=CC=C1CCN(C)C
InChIInChI=1S/C19H35N/c1-7-10-16(3)19(17(4)11-8-2)14-9-12-18(19)13-15-20(5)6/h9,12,14,16-17H,7-8,10-11,13,15H2,1-6H3
InChIKeySDLGQTZTCHJWOR-UHFFFAOYSA-N
MW277.50 g/mol
LogP5.29
Rot. Bonds9

About 2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine

2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine (PubChem CID 131721846) has the molecular formula C19H35N and a molecular weight of 277.50 g/mol. Its IUPAC name is 2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
PubChem CID131721846
Molecular FormulaC19H35N
Molecular Weight277.50 g/mol
Exact Mass277.28
IUPAC Name2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine
SMILESCCCC(C)C1(C(C)CCC)C=CC=C1CCN(C)C
InChIInChI=1S/C19H35N/c1-7-10-16(3)19(17(4)11-8-2)14-9-12-18(19)13-15-20(5)6/h9,12,14,16-17H,7-8,10-11,13,15H2,1-6H3
InChIKeySDLGQTZTCHJWOR-UHFFFAOYSA-N
XLogP5.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.50
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1R,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,7-hexahydroinden-4-yl]-N-methyl-N-prop-2-enylpropan-1-amine
CID 72199012
1,2-dilinoleyl-N,N-dimethyl-3-aminopropane
CID 139600217
N-[3-ethenyl-2-(3-fluoropentyl)-3-propylheptyl]-4-ethyl-N,3,5-trimethylcyclohexa-1,2,5-trien-1-amine
CID 123490671
11-ethyl-10-[(E)-2-fluoroprop-1-enyl]-4-methyl-9-(2-methylpropyl)-4-azabicyclo[7.2.0]undec-10-ene
CID 130370981
4-(2-ethyl-1,4-dimethylcyclohexa-2,4-dien-1-yl)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine
CID 156342500
5-[(Z)-but-1-enyl]-3-cyclopentyl-3-decan-4-yl-4-ethyl-1-(2-fluoroethyl)-2,6-dihydropyridine
CID 166724511
2,3-Dihydro-2-azasqualene
CID 129725423
N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 135070130
1-[(3E,5Z)-3-ethyl-8-fluoro-7,8-dimethyl-2-(1-methylcyclohexyl)nona-3,5-dienyl]-3-methylpyrrolidine
CID 143036764
N-ethyl-N-[2-[5-(2-fluoropropan-2-yl)cyclohepta-1,3,5-trien-1-yl]-2-(1-methylcyclohexyl)ethyl]propan-1-amine
CID 143036997
n,n-Dimethyl-1-(1,3,5-trimethyl-2-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233422
n,n-Dimethyl-1-(1,2,3,5-tetramethyl-6-pentylcyclohexa-2,4-dien-1-yl)methanamine
CID 233424

Frequently Asked Questions

What is the IUPAC name of 2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine (CID 131721846) is 2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine is CCCC(C)C1(C(C)CCC)C=CC=C1CCN(C)C.
What is the InChIKey of 2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
The InChIKey is SDLGQTZTCHJWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N/c1-7-10-16(3)19(17(4)11-8-2)14-9-12-18(19)13-15-20(5)6/h9,12,14,16-17H,7-8,10-11,13,15H2,1-6H3.
What are the key properties of 2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine?
2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine has a molecular weight of 277.50 g/mol, XLogP of 5.29, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-di(pentan-2-yl)cyclopenta-1,3-dien-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 131721846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).