N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline

C17H22N2 — CID 43733000

IUPACN-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cc(NCC2CCCCC2)cc(-n2cccc2)c1
InChIInChI=1S/C17H22N2/c1-2-7-15(8-3-1)14-18-16-9-6-10-17(13-16)19-11-4-5-12-19/h4-6,9-13,15,18H,1-3,7-8,14H2
InChIKeyBZHMBZGJJRXHHV-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.47
Rot. Bonds4

About N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline

N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline (PubChem CID 43733000) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
PubChem CID43733000
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC NameN-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
SMILESc1cc(NCC2CCCCC2)cc(-n2cccc2)c1
InChIInChI=1S/C17H22N2/c1-2-7-15(8-3-1)14-18-16-9-6-10-17(13-16)19-11-4-5-12-19/h4-6,9-13,15,18H,1-3,7-8,14H2
InChIKeyBZHMBZGJJRXHHV-UHFFFAOYSA-N
XLogP4.47
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
CID 62656928
N-(pyrrolidin-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 106637585
N-(cyclopropylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 43692027
2-methyl-N-[4-[(3-pyrrol-1-ylanilino)methyl]cyclohexyl]propane-2-sulfonamide;dihydrochloride
CID 157423224
N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376208
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-3-pyrrol-1-ylaniline
CID 103276432
N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43435745
N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 80553652
3-imidazol-1-yl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655457
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline
CID 59231472

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline?
The IUPAC name of N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline (CID 43733000) is N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline.
What is the SMILES notation for N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline?
The canonical SMILES for N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline is c1cc(NCC2CCCCC2)cc(-n2cccc2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline?
The InChIKey is BZHMBZGJJRXHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-2-7-15(8-3-1)14-18-16-9-6-10-17(13-16)19-11-4-5-12-19/h4-6,9-13,15,18H,1-3,7-8,14H2.
What are the key properties of N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline?
N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline has a molecular weight of 254.38 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline is sourced from PubChem (CID 43733000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).