N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine

C13H26N2O — CID 79860805

IUPACN,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine
SMILESCNC1C(N2CCCOCC2)CCC1(C)C
InChIInChI=1S/C13H26N2O/c1-13(2)6-5-11(12(13)14-3)15-7-4-9-16-10-8-15/h11-12,14H,4-10H2,1-3H3
InChIKeyMCTLOVSEMBMVPS-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.49
Rot. Bonds2

About N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine

N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine (PubChem CID 79860805) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine
PubChem CID79860805
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine
SMILESCNC1C(N2CCCOCC2)CCC1(C)C
InChIInChI=1S/C13H26N2O/c1-13(2)6-5-11(12(13)14-3)15-7-4-9-16-10-8-15/h11-12,14H,4-10H2,1-3H3
InChIKeyMCTLOVSEMBMVPS-UHFFFAOYSA-N
XLogP1.49
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-tert-butylpiperazin-1-yl)-N,2,2-trimethylcyclopentan-1-amine
CID 79860206
5-(4-ethylpiperidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine
CID 79859967
N,2,2-trimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]cyclopentan-1-amine
CID 79860413
6-(2,2-dimethylmorpholin-4-yl)-N,2,2-trimethylcyclohexan-1-amine
CID 79828996
2,2-dimethyl-5-morpholin-4-ylcyclopentan-1-amine
CID 79863923
N-methyl-2-(1,4-oxazepan-4-yl)cyclooctan-1-amine
CID 62988145
N,2,2-trimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]cyclopentan-1-amine
CID 79860087
5-(3-methoxypyrrolidin-1-yl)-N,2,2-trimethylcyclopentan-1-amine
CID 103532388
N,2,2-trimethyl-6-(4-propylpiperidin-1-yl)cyclohexan-1-amine
CID 79828781
5-(azocan-1-yl)-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79865020
4-ethyl-N-methyl-2-(1,4-oxazepan-4-yl)cyclohexan-1-amine
CID 62986422
N-methyl-2-(1,4-oxazepan-4-yl)-4-propylcyclohexan-1-amine
CID 55152195

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine (CID 79860805) is N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine is CNC1C(N2CCCOCC2)CCC1(C)C.
What is the InChIKey of N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine?
The InChIKey is MCTLOVSEMBMVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-13(2)6-5-11(12(13)14-3)15-7-4-9-16-10-8-15/h11-12,14H,4-10H2,1-3H3.
What are the key properties of N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine?
N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-(1,4-oxazepan-4-yl)cyclopentan-1-amine is sourced from PubChem (CID 79860805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).