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

C17H34N2O — CID 62973181

IUPAC2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN1CCCOC(C)C1
InChIInChI=1S/C17H34N2O/c1-3-10-18-17-9-6-4-5-8-16(17)14-19-11-7-12-20-15(2)13-19/h15-18H,3-14H2,1-2H3
InChIKeyHNZGZOXVAKIDIW-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds5

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

2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine (PubChem CID 62973181) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine
PubChem CID62973181
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1CN1CCCOC(C)C1
InChIInChI=1S/C17H34N2O/c1-3-10-18-17-9-6-4-5-8-16(17)14-19-11-7-12-20-15(2)13-19/h15-18H,3-14H2,1-2H3
InChIKeyHNZGZOXVAKIDIW-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcyclopentan-1-amine
CID 62973885
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-(1,4-oxazepan-4-ylmethyl)-N-propylcycloheptan-1-amine
CID 55139983
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
CID 62974788
N,N-dimethyl-1-[[2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-amine
CID 55160102
N-ethyl-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentan-1-amine
CID 79565836
2-[1-[[2-(propylamino)cyclohexyl]methyl]piperidin-3-yl]ethanol
CID 107228969
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N-propylcyclohexan-1-amine
CID 79945526
N,4-dimethyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexan-1-amine
CID 62973886
4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol
CID 107408771
2-[(2,2-dimethylmorpholin-4-yl)methyl]-N-propylcyclohexan-1-amine
CID 62614593

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine?
The IUPAC name of 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine (CID 62973181) is 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1CN1CCCOC(C)C1.
What is the InChIKey of 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine?
The InChIKey is HNZGZOXVAKIDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-10-18-17-9-6-4-5-8-16(17)14-19-11-7-12-20-15(2)13-19/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine?
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-N-propylcycloheptan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 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-propylcycloheptan-1-amine is sourced from PubChem (CID 62973181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).