N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine

C16H32N2O — CID 62258237

IUPACN-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine
SMILESCCCNCC1(CN(C)C2CCOCC2)CCCC1
InChIInChI=1S/C16H32N2O/c1-3-10-17-13-16(8-4-5-9-16)14-18(2)15-6-11-19-12-7-15/h15,17H,3-14H2,1-2H3
InChIKeyRAQKOOXFMTWEEZ-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds7

About N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine

N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine (PubChem CID 62258237) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine
PubChem CID62258237
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine
SMILESCCCNCC1(CN(C)C2CCOCC2)CCCC1
InChIInChI=1S/C16H32N2O/c1-3-10-17-13-16(8-4-5-9-16)14-18(2)15-6-11-19-12-7-15/h15,17H,3-14H2,1-2H3
InChIKeyRAQKOOXFMTWEEZ-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-N-[[3-(propylaminomethyl)oxan-3-yl]methyl]cyclopropanamine
CID 63741709
N-methyl-N-[[3-methyl-1-(propylaminomethyl)cyclohexyl]methyl]oxolan-3-amine
CID 82743297
N-methyl-N-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]oxan-4-amine
CID 62258238
N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 63713396
N,3-dimethyl-N-[[4-(propylaminomethyl)oxan-4-yl]methyl]cyclohexan-1-amine
CID 62391845
N-methyl-N-[[3-(propylaminomethyl)oxolan-3-yl]methyl]cyclohexanamine
CID 62263421
N,3-dimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]cyclohexan-1-amine
CID 63493493
4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol
CID 114953652
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716
N-[[1-[(cyclopropylamino)methyl]cyclopentyl]methyl]-N-methyloxolan-3-amine
CID 82744183
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N,4-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]cyclohexan-1-amine
CID 63495608

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine?
The IUPAC name of N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine (CID 62258237) is N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine.
What is the SMILES notation for N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine?
The canonical SMILES for N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine is CCCNCC1(CN(C)C2CCOCC2)CCCC1.
What is the InChIKey of N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine?
The InChIKey is RAQKOOXFMTWEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-10-17-13-16(8-4-5-9-16)14-18(2)15-6-11-19-12-7-15/h15,17H,3-14H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine?
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine is sourced from PubChem (CID 62258237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).