[1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine

C15H30N2 — CID 79836663

IUPAC[1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine
SMILESCCC1CCCN1C1(CN)CCCCC1(C)C
InChIInChI=1S/C15H30N2/c1-4-13-8-7-11-17(13)15(12-16)10-6-5-9-14(15,2)3/h13H,4-12,16H2,1-3H3
InChIKeyYVIGNGNXACNHGM-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.16
Rot. Bonds3

About [1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine

[1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine (PubChem CID 79836663) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is [1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine
PubChem CID79836663
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name[1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine
SMILESCCC1CCCN1C1(CN)CCCCC1(C)C
InChIInChI=1S/C15H30N2/c1-4-13-8-7-11-17(13)15(12-16)10-6-5-9-14(15,2)3/h13H,4-12,16H2,1-3H3
InChIKeyYVIGNGNXACNHGM-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2,2-dimethyl-1-(2-methylazepan-1-yl)cyclohexyl]methanamine
CID 79847388
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847299
[8-(2-ethylpyrrolidin-1-yl)spiro[4.5]decan-8-yl]methanamine
CID 114818062
[1-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79857357
[4-(2-ethylpiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine
CID 43266395
[1-(2-ethylpyrrolidin-1-yl)-3-methylcyclohexyl]methanamine
CID 60974436
[1-(3,4-dimethylpiperazin-1-yl)-2,2-dimethylcyclohexyl]methanamine
CID 79847121
[1-(2-ethylpyrrolidin-1-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103562653
1-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 79847823
[1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylcyclopentyl]methanamine
CID 79856782
[1-(2-ethylpyrrolidin-1-yl)-2-methylsulfonylcyclopentyl]methanamine
CID 65045929
[4-(2-ethylazepan-1-yl)thian-4-yl]methanamine
CID 104689235

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine (CID 79836663) is [1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine is CCC1CCCN1C1(CN)CCCCC1(C)C.
What is the InChIKey of [1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine?
The InChIKey is YVIGNGNXACNHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-4-13-8-7-11-17(13)15(12-16)10-6-5-9-14(15,2)3/h13H,4-12,16H2,1-3H3.
What are the key properties of [1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine?
[1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine has a molecular weight of 238.42 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpyrrolidin-1-yl)-2,2-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 79836663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).