3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine

C15H31N3 — CID 79319830

IUPAC3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCCN1CCCC1CN(C)CC1CCCC(N)C1
InChIInChI=1S/C15H31N3/c1-3-18-9-5-8-15(18)12-17(2)11-13-6-4-7-14(16)10-13/h13-15H,3-12,16H2,1-2H3
InChIKeyBWQVWFHBKFTQGY-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.92
Rot. Bonds5

About 3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine

3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine (PubChem CID 79319830) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
PubChem CID79319830
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
SMILESCCN1CCCC1CN(C)CC1CCCC(N)C1
InChIInChI=1S/C15H31N3/c1-3-18-9-5-8-15(18)12-17(2)11-13-6-4-7-14(16)10-13/h13-15H,3-12,16H2,1-2H3
InChIKeyBWQVWFHBKFTQGY-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63234589
trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide
CID 124671626
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
CID 95363630
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
3-[[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methyl]cyclopentan-1-amine
CID 66010510
1-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N,2,2,3-tetramethylbutane-1,3-diamine
CID 79318789
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-propylcyclohexan-1-ol
CID 79310538
2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]-4-methylcyclohexan-1-ol
CID 79313488
2-amino-3-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]propanoic acid
CID 79319869
1-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpropan-2-ol
CID 112734110
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 79312799
4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one
CID 79312395

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of 3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine (CID 79319830) is 3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for 3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine is CCN1CCCC1CN(C)CC1CCCC(N)C1.
What is the InChIKey of 3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine?
The InChIKey is BWQVWFHBKFTQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-18-9-5-8-15(18)12-17(2)11-13-6-4-7-14(16)10-13/h13-15H,3-12,16H2,1-2H3.
What are the key properties of 3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine?
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 79319830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).