4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine

C15H30N2O — CID 62987813

IUPAC4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1N1CCCOCC1
InChIInChI=1S/C15H30N2O/c1-3-7-16-14-6-5-13(2)12-15(14)17-8-4-10-18-11-9-17/h13-16H,3-12H2,1-2H3
InChIKeyRSZMPMZJXXXVBC-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds4

About 4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine

4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine (PubChem CID 62987813) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine
PubChem CID62987813
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCC(C)CC1N1CCCOCC1
InChIInChI=1S/C15H30N2O/c1-3-7-16-14-6-5-13(2)12-15(14)17-8-4-10-18-11-9-17/h13-16H,3-12H2,1-2H3
InChIKeyRSZMPMZJXXXVBC-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine
CID 55152195
4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
CID 62986422
4-ethyl-2-(4-methylpiperidin-1-yl)-N-propylcyclohexan-1-amine
CID 55192276
2-(azepan-1-yl)-4-tert-butyl-N-propylcyclohexan-1-amine
CID 63466548
2-(3-ethyl-4-methylpiperazin-1-yl)-4-methyl-N-propylcyclohexan-1-amine
CID 63609506
N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine
CID 62972825
2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
CID 55139983
3-(azepan-1-yl)-2-ethyl-N-propylcyclobutan-1-amine
CID 166648808
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-ethyl-N-propylcyclohexan-1-amine
CID 79928660
N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
CID 62988145
2-(4-methylpiperazin-1-yl)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 62703151
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine (CID 62987813) is 4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine is CCCNC1CCC(C)CC1N1CCCOCC1.
What is the InChIKey of 4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine?
The InChIKey is RSZMPMZJXXXVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-7-16-14-6-5-13(2)12-15(14)17-8-4-10-18-11-9-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine?
4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1,4-oxazepan-4-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 62987813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).