2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine

C15H30N2O — CID 62973885

IUPAC2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN1CCCOC(C)C1
InChIInChI=1S/C15H30N2O/c1-3-8-16-15-7-4-6-14(15)12-17-9-5-10-18-13(2)11-17/h13-16H,3-12H2,1-2H3
InChIKeyZRIIBEWNUBHLFH-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.27
Rot. Bonds5

About 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine

2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine (PubChem CID 62973885) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine
PubChem CID62973885
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1CN1CCCOC(C)C1
InChIInChI=1S/C15H30N2O/c1-3-8-16-15-7-4-6-14(15)12-17-9-5-10-18-13(2)11-17/h13-16H,3-12H2,1-2H3
InChIKeyZRIIBEWNUBHLFH-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine
CID 62973181
2-[(2-methylmorpholin-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 55093836
N-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973354
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
CID 62974788
N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine
CID 79565836
2-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
CID 55139983
N,N-diethyl-1-[[2-(propylamino)cyclopentyl]methyl]pyrrolidin-3-amine
CID 63169213
N-propyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094030
2-[1-[[2-(propylamino)cyclohexyl]methyl]piperidin-3-yl]ethanol
CID 107228969
N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973886
N,N-dimethyl-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-amine
CID 55160102
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
CID 62616468

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine (CID 62973885) is 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1CN1CCCOC(C)C1.
What is the InChIKey of 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine?
The InChIKey is ZRIIBEWNUBHLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-8-16-15-7-4-6-14(15)12-17-9-5-10-18-13(2)11-17/h13-16H,3-12H2,1-2H3.
What are the key properties of 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine?
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine has a molecular weight of 254.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 62973885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).