N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine

C14H28N2O — CID 83116241

IUPACN-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine
SMILESCN(C)C1(CNC2CCCOCC2)CCCC1
InChIInChI=1S/C14H28N2O/c1-16(2)14(8-3-4-9-14)12-15-13-6-5-10-17-11-7-13/h13,15H,3-12H2,1-2H3
InChIKeyNCGSRVHYPHSKHW-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds4

About N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine

N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine (PubChem CID 83116241) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine
PubChem CID83116241
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine
SMILESCN(C)C1(CNC2CCCOCC2)CCCC1
InChIInChI=1S/C14H28N2O/c1-16(2)14(8-3-4-9-14)12-15-13-6-5-10-17-11-7-13/h13,15H,3-12H2,1-2H3
InChIKeyNCGSRVHYPHSKHW-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]oxepan-4-amine
CID 65076450
N-[[1-(dimethylamino)cyclopentyl]methyl]-1,9-dioxaspiro[5.5]undecan-4-amine
CID 83112995
N,N,1-trimethyl-4-[(oxolan-3-ylamino)methyl]piperidin-4-amine
CID 131946632
N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]oxolan-3-amine
CID 55202503
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-ethylazepan-4-amine
CID 65072853
N-[[1-(dimethylamino)cyclopentyl]methyl]pyrrolidin-3-amine
CID 83107682
N-[[1-(dimethylamino)cyclopentyl]methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 83108296
1-[(cyclohexylamino)methyl]-N,N,3-trimethylcyclohexan-1-amine
CID 61212107
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-ethylazepan-4-amine
CID 105415647
1-[(oxan-4-ylamino)methyl]cyclohexan-1-ol
CID 60908974
N-[[1-(dimethylamino)cyclohexyl]methyl]-1-prop-2-ynylpiperidin-4-amine
CID 43766456
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-propan-2-ylazepan-4-amine
CID 105414514

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine?
The IUPAC name of N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine (CID 83116241) is N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine.
What is the SMILES notation for N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine?
The canonical SMILES for N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine is CN(C)C1(CNC2CCCOCC2)CCCC1.
What is the InChIKey of N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine?
The InChIKey is NCGSRVHYPHSKHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-16(2)14(8-3-4-9-14)12-15-13-6-5-10-17-11-7-13/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine?
N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclopentyl]methyl]oxepan-4-amine is sourced from PubChem (CID 83116241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).