N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine

C15H30N2O — CID 103532122

IUPACN,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1N1CCC(OC)C1
InChIInChI=1S/C15H30N2O/c1-4-12-6-7-14(16-5-2)15(10-12)17-9-8-13(11-17)18-3/h12-16H,4-11H2,1-3H3
InChIKeyKIURZDSBVNAMDI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds5

About N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine

N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine (PubChem CID 103532122) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
PubChem CID103532122
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(CC)CC1N1CCC(OC)C1
InChIInChI=1S/C15H30N2O/c1-4-12-6-7-14(16-5-2)15(10-12)17-9-8-13(11-17)18-3/h12-16H,4-11H2,1-3H3
InChIKeyKIURZDSBVNAMDI-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine?
The IUPAC name of N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine (CID 103532122) is N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine is CCNC1CCC(CC)CC1N1CCC(OC)C1.
What is the InChIKey of N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine?
The InChIKey is KIURZDSBVNAMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-12-6-7-14(16-5-2)15(10-12)17-9-8-13(11-17)18-3/h12-16H,4-11H2,1-3H3.
What are the key properties of N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine?
N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-2-(3-methoxypyrrolidin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 103532122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).