N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine

C16H32N2 — CID 113417248

IUPACN-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1N1CCC(C(C)C)C1
InChIInChI=1S/C16H32N2/c1-5-17-15-7-6-13(4)10-16(15)18-9-8-14(11-18)12(2)3/h12-17H,5-11H2,1-4H3
InChIKeyAFHSGPIYFACCTO-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds4

About N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine

N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine (PubChem CID 113417248) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine
PubChem CID113417248
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1N1CCC(C(C)C)C1
InChIInChI=1S/C16H32N2/c1-5-17-15-7-6-13(4)10-16(15)18-9-8-14(11-18)12(2)3/h12-17H,5-11H2,1-4H3
InChIKeyAFHSGPIYFACCTO-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine (CID 113417248) is N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine is CCNC1CCC(C)CC1N1CCC(C(C)C)C1.
What is the InChIKey of N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine?
The InChIKey is AFHSGPIYFACCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-5-17-15-7-6-13(4)10-16(15)18-9-8-14(11-18)12(2)3/h12-17H,5-11H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine?
N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 113417248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).