N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

C17H34N2 — CID 62512607

IUPACN-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(N2CCC(CNC(C)(C)C)C2)CC1
InChIInChI=1S/C17H34N2/c1-5-14-6-8-16(9-7-14)19-11-10-15(13-19)12-18-17(2,3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyQJQOWLDKZLVAJE-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds4

About N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62512607) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62512607
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCCC1CCC(N2CCC(CNC(C)(C)C)C2)CC1
InChIInChI=1S/C17H34N2/c1-5-14-6-8-16(9-7-14)19-11-10-15(13-19)12-18-17(2,3)4/h14-16,18H,5-13H2,1-4H3
InChIKeyQJQOWLDKZLVAJE-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[[1-(1-methylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513098
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-ethylcyclohexan-1-amine
CID 54920980
N-[[1-(3,4-dimethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 64742879
N-[(1-cyclohexylpiperidin-4-yl)methyl]-2-methylpropan-2-amine
CID 63849814
1-cyclopropyl-4-ethylpiperidine;ethane
CID 145311489
N-[[(3R)-1-tert-butylpyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 94464287
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
CID 60855645
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylbutanamide
CID 79797487
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112588836
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 62513450
N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
1-cyclopropyl-3-ethylpiperidine
CID 76560892

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (CID 62512607) is N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is CCC1CCC(N2CCC(CNC(C)(C)C)C2)CC1.
What is the InChIKey of N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is QJQOWLDKZLVAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-14-6-8-16(9-7-14)19-11-10-15(13-19)12-18-17(2,3)4/h14-16,18H,5-13H2,1-4H3.
What are the key properties of N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethylcyclohexyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62512607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).