N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline

C17H26N2 — CID 43229105

IUPACN-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
SMILESc1ccc(N2CCCC2)c(NCC2CCCCC2)c1
InChIInChI=1S/C17H26N2/c1-2-8-15(9-3-1)14-18-16-10-4-5-11-17(16)19-12-6-7-13-19/h4-5,10-11,15,18H,1-3,6-9,12-14H2
InChIKeyMQZXECQBLHVUIH-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.28
Rot. Bonds4

About N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline

N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline (PubChem CID 43229105) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
PubChem CID43229105
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
SMILESc1ccc(N2CCCC2)c(NCC2CCCCC2)c1
InChIInChI=1S/C17H26N2/c1-2-8-15(9-3-1)14-18-16-10-4-5-11-17(16)19-12-6-7-13-19/h4-5,10-11,15,18H,1-3,6-9,12-14H2
InChIKeyMQZXECQBLHVUIH-UHFFFAOYSA-N
XLogP4.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)-2-pyrrolidin-1-ylaniline
CID 80553691
2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106636550
2-morpholin-4-yl-N-(oxan-4-ylmethyl)aniline
CID 62385049
2-chloro-N-(cyclopentylmethyl)aniline
CID 61344994
N-[(1-methylpiperidin-3-yl)methyl]-2-morpholin-4-ylaniline
CID 62659401
[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 126803823
N-(2-phenoxyethyl)-2-piperidin-1-ylaniline
CID 78820561
2-[2-(azepan-1-yl)anilino]-N-cyclopropylacetamide
CID 25349530
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(2-piperidin-1-ylanilino)ethanone
CID 78826907
4-N-(2-piperidin-1-ylphenyl)cyclohexane-1,4-diamine
CID 79724003
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline?
The IUPAC name of N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline (CID 43229105) is N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline is c1ccc(N2CCCC2)c(NCC2CCCCC2)c1.
What is the InChIKey of N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline?
The InChIKey is MQZXECQBLHVUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-8-15(9-3-1)14-18-16-10-4-5-11-17(16)19-12-6-7-13-19/h4-5,10-11,15,18H,1-3,6-9,12-14H2.
What are the key properties of N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline?
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline has a molecular weight of 258.41 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 43229105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).