N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine

C16H32N2 — CID 113418861

IUPACN-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CN2CCC(CC)C2)CCCCC1
InChIInChI=1S/C16H32N2/c1-3-15-8-11-18(12-15)14-16(13-17-4-2)9-6-5-7-10-16/h15,17H,3-14H2,1-2H3
InChIKeyUMRMDAKKXWUIFC-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds6

About N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine

N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine (PubChem CID 113418861) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
PubChem CID113418861
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
SMILESCCNCC1(CN2CCC(CC)C2)CCCCC1
InChIInChI=1S/C16H32N2/c1-3-15-8-11-18(12-15)14-16(13-17-4-2)9-6-5-7-10-16/h15,17H,3-14H2,1-2H3
InChIKeyUMRMDAKKXWUIFC-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 113418866
1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967293
N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 64581384
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine
CID 79184587
N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051871
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 113336169
N-[[1-[(3-methoxy-4-methylpiperidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 102967157
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79184034
N-[[1-[(2-methylmorpholin-4-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051513
N-[[4-[(3-ethylpiperidin-1-yl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62391828
N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 114539697
1-[[1-(bromomethyl)cycloheptyl]methyl]-3-ethylpiperidine
CID 65010517

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine?
The IUPAC name of N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine (CID 113418861) is N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine is CCNCC1(CN2CCC(CC)C2)CCCCC1.
What is the InChIKey of N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine?
The InChIKey is UMRMDAKKXWUIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-15-8-11-18(12-15)14-16(13-17-4-2)9-6-5-7-10-16/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine?
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine is sourced from PubChem (CID 113418861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).