N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline

C19H30N2 — CID 43788848

IUPACN-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
SMILESCC(Nc1ccccc1CN1CCCC1)C1CCCCC1
InChIInChI=1S/C19H30N2/c1-16(17-9-3-2-4-10-17)20-19-12-6-5-11-18(19)15-21-13-7-8-14-21/h5-6,11-12,16-17,20H,2-4,7-10,13-15H2,1H3
InChIKeyVRCGEWJUAQYGJK-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.66
Rot. Bonds5

About N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline

N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline (PubChem CID 43788848) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
PubChem CID43788848
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
SMILESCC(Nc1ccccc1CN1CCCC1)C1CCCCC1
InChIInChI=1S/C19H30N2/c1-16(17-9-3-2-4-10-17)20-19-12-6-5-11-18(19)15-21-13-7-8-14-21/h5-6,11-12,16-17,20H,2-4,7-10,13-15H2,1H3
InChIKeyVRCGEWJUAQYGJK-UHFFFAOYSA-N
XLogP4.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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[2-(1-cyclopentylethylamino)phenyl]methanol
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N-(1-cyclopentylethyl)-2-(diethylaminomethyl)aniline
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1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol
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N-(1-cyclohexylethyl)-2-propan-2-ylaniline
CID 43759431
N-[1-(1H-pyrazol-5-yl)ethyl]-2-(pyrrolidin-1-ylmethyl)aniline
CID 60971669
N-(1-cyclopropylethyl)-2-(methoxymethyl)aniline
CID 43677996
2-[(dimethylamino)methyl]-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43750067
2-(methoxymethyl)-N-[1-(1-propylpiperidin-4-yl)ethyl]aniline
CID 43677816
N-phenyl-2-(piperidin-1-ylmethyl)aniline
CID 162401807
3-chloro-1-N-(1-cyclohexylethyl)benzene-1,2-diamine
CID 113458617

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline?
The IUPAC name of N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline (CID 43788848) is N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline?
The canonical SMILES for N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline is CC(Nc1ccccc1CN1CCCC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline?
The InChIKey is VRCGEWJUAQYGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16(17-9-3-2-4-10-17)20-19-12-6-5-11-18(19)15-21-13-7-8-14-21/h5-6,11-12,16-17,20H,2-4,7-10,13-15H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline?
N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline has a molecular weight of 286.46 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline is sourced from PubChem (CID 43788848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).