N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine

C25H47N — CID 23295287

IUPACN-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCC1=CCC(C(C)CCC)=C1C(C)CCC
InChIInChI=1S/C25H47N/c1-7-11-18-26(19-12-8-2)20-17-23-15-16-24(21(5)13-9-3)25(23)22(6)14-10-4/h15,21-22H,7-14,16-20H2,1-6H3
InChIKeyRKGUPHFLCCSYDS-UHFFFAOYSA-N
MW361.66 g/mol
LogP7.78
Rot. Bonds15

About N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine

N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine (PubChem CID 23295287) has the molecular formula C25H47N and a molecular weight of 361.66 g/mol. Its IUPAC name is N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
PubChem CID23295287
Molecular FormulaC25H47N
Molecular Weight361.66 g/mol
Exact Mass361.37
IUPAC NameN-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine
SMILESCCCCN(CCCC)CCC1=CCC(C(C)CCC)=C1C(C)CCC
InChIInChI=1S/C25H47N/c1-7-11-18-26(19-12-8-2)20-17-23-15-16-24(21(5)13-9-3)25(23)22(6)14-10-4/h15,21-22H,7-14,16-20H2,1-6H3
InChIKeyRKGUPHFLCCSYDS-UHFFFAOYSA-N
XLogP7.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.66
LogP ≤ 57.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine with MolForge

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Related Compounds

N,N-Diethyl-3,7-dimethyl-6-octen-1-amine
CID 14525584
3,7-dimethyl-N,N-dipropyloct-6-en-1-amine
CID 13945554
(6E,8E)-6-ethenyl-N,5-diethyl-9-fluoro-N-methyldeca-6,8-dien-1-amine
CID 134365586
1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 155347472
(3E)-3-ethylidene-N-(2-fluoro-3-methylpentyl)-N-methylheptan-1-amine
CID 156314368
(Z)-N-(cyclohexylmethyl)-N-[2-[(5S)-4,5-dimethylcyclopenta-1,3-dien-1-yl]ethyl]-2-fluorobut-1-en-1-amine
CID 173844592
2,3-Dihydro-2-azasqualene
CID 129725423
2,2-Dipropyl-4,6-dimethyl-2,6,7,7a-tetrahydro-1h-isoindolium bromide
CID 129795543
N,N-dibutyl-3-[(1R)-4-methylcyclohex-3-en-1-yl]butan-1-amine
CID 135070130
1-[(5Z)-5-(2-cyclohexylethylidene)cyclopenta-1,3-dien-1-yl]-N,N-dimethylmethanamine
CID 137286778
trimethyl-[[(1R)-3-methylcyclopent-3-en-1-yl]methyl]azanium
CID 118719170
N-ethyl-N,3,7-trimethyloct-6-en-1-amine
CID 170848268

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine?
The IUPAC name of N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine (CID 23295287) is N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine is CCCCN(CCCC)CCC1=CCC(C(C)CCC)=C1C(C)CCC.
What is the InChIKey of N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine?
The InChIKey is RKGUPHFLCCSYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H47N/c1-7-11-18-26(19-12-8-2)20-17-23-15-16-24(21(5)13-9-3)25(23)22(6)14-10-4/h15,21-22H,7-14,16-20H2,1-6H3.
What are the key properties of N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine?
N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine has a molecular weight of 361.66 g/mol, XLogP of 7.78, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[2-[4,5-di(pentan-2-yl)cyclopenta-1,4-dien-1-yl]ethyl]butan-1-amine is sourced from PubChem (CID 23295287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).