[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine

C13H26N2 — CID 81493135

IUPAC[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1CCC1CCCCC1
InChIInChI=1S/C13H26N2/c14-11-13-7-4-9-15(13)10-8-12-5-2-1-3-6-12/h12-13H,1-11,14H2
InChIKeyFDBOITAWAUGMJH-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.38
Rot. Bonds4

About [1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine

[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine (PubChem CID 81493135) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is [1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
PubChem CID81493135
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine
SMILESNCC1CCCN1CCC1CCCCC1
InChIInChI=1S/C13H26N2/c14-11-13-7-4-9-15(13)10-8-12-5-2-1-3-6-12/h12-13H,1-11,14H2
InChIKeyFDBOITAWAUGMJH-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(2-cyclohexylethyl)piperidin-2-yl]methanamine
CID 97052114
[1-(2-cyclopropylethyl)azepan-2-yl]methanamine
CID 116640428
[1-(2-cyclohexylethyl)azepan-2-yl]methanol
CID 114192428
(1-butylazepan-2-yl)methanamine
CID 116640391
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine
CID 64566095
[(2R)-1-(3-methylbutyl)pyrrolidin-2-yl]methanamine
CID 93497649
4-[2-(aminomethyl)azepan-1-yl]butan-1-ol
CID 116640497
[1-(3,3,3-trifluoropropyl)piperidin-2-yl]methanamine;hydrochloride
CID 119916056
1-[1-(2-cyclopropylethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758812
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]azepan-2-yl]methanamine
CID 116640435
[1-(3-pyrrolidin-1-ylpropyl)piperidin-2-yl]methanamine
CID 61493948
3-[2-(aminomethyl)pyrrolidin-1-yl]propanenitrile
CID 73062219

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of [1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine (CID 81493135) is [1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for [1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for [1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine is NCC1CCCN1CCC1CCCCC1.
What is the InChIKey of [1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is FDBOITAWAUGMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c14-11-13-7-4-9-15(13)10-8-12-5-2-1-3-6-12/h12-13H,1-11,14H2.
What are the key properties of [1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine?
[1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 210.36 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclohexylethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 81493135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).