N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline

C17H23N3 — CID 59231472

IUPACN-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline
SMILESNC1CCC(CNc2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C17H23N3/c18-15-5-3-14(4-6-15)13-19-16-7-9-17(10-8-16)20-11-1-2-12-20/h1-2,7-12,14-15,19H,3-6,13,18H2
InChIKeyVOMGGTXIHQRZND-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.41
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline

N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline (PubChem CID 59231472) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline
PubChem CID59231472
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline
SMILESNC1CCC(CNc2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C17H23N3/c18-15-5-3-14(4-6-15)13-19-16-7-9-17(10-8-16)20-11-1-2-12-20/h1-2,7-12,14-15,19H,3-6,13,18H2
InChIKeyVOMGGTXIHQRZND-UHFFFAOYSA-N
XLogP3.41
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(4-aminocyclohexyl)methylamino]phenyl]pyrrolidin-3-amine
CID 59229868
4-[(4-aminocyclohexyl)methylamino]benzenethiol
CID 59230358
N-[(4-aminocyclohexyl)methyl]-4-tert-butylaniline
CID 59230557
N-[(4-aminocyclohexyl)methyl]-4-(2,3-dihydroindol-1-yl)aniline
CID 59230174
N-[(4-aminocyclohexyl)methyl]-4-(2,6-dimethylmorpholin-4-yl)aniline
CID 59231299
1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 59230186
N-[(4-aminocyclohexyl)methyl]-4-butylaniline
CID 59549626
N-(cyclohexylmethyl)-3-pyrrol-1-ylaniline
CID 43733000
1-[4-[(4-aminocyclohexyl)methylamino]phenyl]ethanone
CID 59230003
N-[(4-aminocyclohexyl)methyl]-4-[4-[3,4-bis(iodomethoxy)phenyl]piperazin-1-yl]aniline
CID 89093667
N-[(1-methylpiperidin-4-yl)methyl]-3-pyrrol-1-ylaniline
CID 62656928
N-[(4-aminocyclohexyl)methyl]-4-[(2R)-2-propan-2-ylmorpholin-4-yl]aniline
CID 59230935

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline (CID 59231472) is N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline is NC1CCC(CNc2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline?
The InChIKey is VOMGGTXIHQRZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c18-15-5-3-14(4-6-15)13-19-16-7-9-17(10-8-16)20-11-1-2-12-20/h1-2,7-12,14-15,19H,3-6,13,18H2.
What are the key properties of N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline?
N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline has a molecular weight of 269.39 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-4-pyrrol-1-ylaniline is sourced from PubChem (CID 59231472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).