N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine

C15H30N2O — CID 62972825

IUPACN-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCCOCC1
InChIInChI=1S/C15H30N2O/c1-3-16-15-6-5-13(2)11-14(15)12-17-7-4-9-18-10-8-17/h13-16H,3-12H2,1-2H3
InChIKeyHEEAHMHKCXMNHR-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.12
Rot. Bonds4

About N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine

N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine (PubChem CID 62972825) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine
PubChem CID62972825
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCCOCC1
InChIInChI=1S/C15H30N2O/c1-3-16-15-6-5-13(2)11-14(15)12-17-7-4-9-18-10-8-17/h13-16H,3-12H2,1-2H3
InChIKeyHEEAHMHKCXMNHR-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 65282251
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642
2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
CID 55139983
N-ethyl-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-amine
CID 66371197
N-ethyl-4-propyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 62616394
N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine
CID 64581779
N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63620914
2-[(4,4-dimethylpiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63495442
N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973886
1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474572
2-[(4-cyclopropylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62609331

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine (CID 62972825) is N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine is CCNC1CCC(C)CC1CN1CCCOCC1.
What is the InChIKey of N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine?
The InChIKey is HEEAHMHKCXMNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-16-15-6-5-13(2)11-14(15)12-17-7-4-9-18-10-8-17/h13-16H,3-12H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine?
N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 62972825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).