N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline

C32H39N — CID 58420731

IUPACN,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline
SMILESCCc1ccc(N(c2ccc(CC3CCCC3)cc2)c2ccc(CC3CCCC3)cc2)cc1
InChIInChI=1S/C32H39N/c1-2-25-11-17-30(18-12-25)33(31-19-13-28(14-20-31)23-26-7-3-4-8-26)32-21-15-29(16-22-32)24-27-9-5-6-10-27/h11-22,26-27H,2-10,23-24H2,1H3
InChIKeyFOHKQWKFJVRQDQ-UHFFFAOYSA-N
MW437.67 g/mol
LogP9.18
Rot. Bonds8

About N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline

N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline (PubChem CID 58420731) has the molecular formula C32H39N and a molecular weight of 437.67 g/mol. Its IUPAC name is N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline.

Molecular Properties

Compound NameN,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline
PubChem CID58420731
Molecular FormulaC32H39N
Molecular Weight437.67 g/mol
Exact Mass437.31
IUPAC NameN,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline
SMILESCCc1ccc(N(c2ccc(CC3CCCC3)cc2)c2ccc(CC3CCCC3)cc2)cc1
InChIInChI=1S/C32H39N/c1-2-25-11-17-30(18-12-25)33(31-19-13-28(14-20-31)23-26-7-3-4-8-26)32-21-15-29(16-22-32)24-27-9-5-6-10-27/h11-22,26-27H,2-10,23-24H2,1H3
InChIKeyFOHKQWKFJVRQDQ-UHFFFAOYSA-N
XLogP9.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.67
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
1-ethyl-4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]benzene;1-ethyl-4-[[4-[[4-[(4-ethylphenyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]benzene;methane
CID 159812681
3-[(4-ethylphenyl)methyl]cyclohexan-1-amine
CID 64506247
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
1-(cyclopentylmethyl)-4-ethylbenzene;ethane;hexan-2-one
CID 145234028
butane;cyclopentylmethylbenzene
CID 143522605
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
1-(cyclopent-3-en-1-ylmethyl)-4-ethylbenzene
CID 164652657
1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
[4-(chloromethyl)phenyl]methylcyclooctane
CID 134250550
N,N-diethyl-4-(piperidin-3-ylmethyl)aniline
CID 117368943
1-(cyclopentylmethyl)-4-(4-propylcyclohexyl)benzene
CID 71773137

Frequently Asked Questions

What is the IUPAC name of N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline?
The IUPAC name of N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline (CID 58420731) is N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline.
What is the SMILES notation for N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline?
The canonical SMILES for N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline is CCc1ccc(N(c2ccc(CC3CCCC3)cc2)c2ccc(CC3CCCC3)cc2)cc1.
What is the InChIKey of N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline?
The InChIKey is FOHKQWKFJVRQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N/c1-2-25-11-17-30(18-12-25)33(31-19-13-28(14-20-31)23-26-7-3-4-8-26)32-21-15-29(16-22-32)24-27-9-5-6-10-27/h11-22,26-27H,2-10,23-24H2,1H3.
What are the key properties of N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline?
N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline has a molecular weight of 437.67 g/mol, XLogP of 9.18, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[4-(cyclopentylmethyl)phenyl]-4-ethylaniline is sourced from PubChem (CID 58420731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).