N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

C17H34N2O — CID 63713396

IUPACN-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CC2CCOCC2)CCCC1
InChIInChI=1S/C17H34N2O/c1-3-10-18-14-17(8-4-5-9-17)15-19(2)13-16-6-11-20-12-7-16/h16,18H,3-15H2,1-2H3
InChIKeyYMXNDJLGCKYDNZ-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds8

About N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine

N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (PubChem CID 63713396) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
PubChem CID63713396
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
SMILESCCCNCC1(CN(C)CC2CCOCC2)CCCC1
InChIInChI=1S/C17H34N2O/c1-3-10-18-14-17(8-4-5-9-17)15-19(2)13-16-6-11-20-12-7-16/h16,18H,3-15H2,1-2H3
InChIKeyYMXNDJLGCKYDNZ-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
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-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]oxan-4-amine
CID 62258237
N-[[4-[[cyclobutylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62862435
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]ethanamine
CID 55125957
4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol
CID 114953652
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 65006542
N-[[3-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]oxan-3-yl]methyl]propan-1-amine
CID 63740701
N-methyl-N-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1-(oxan-4-yl)methanamine
CID 63742121
N-[[1-[[cyclobutylmethyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 62860855
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]oxan-3-yl]methyl]cyclopropanamine
CID 63742120
N-methyl-1-(oxan-4-yl)-N-[(3-propylpyrrolidin-3-yl)methyl]methanamine
CID 63705880

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine (CID 63713396) is N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is CCCNCC1(CN(C)CC2CCOCC2)CCCC1.
What is the InChIKey of N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
The InChIKey is YMXNDJLGCKYDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-3-10-18-14-17(8-4-5-9-17)15-19(2)13-16-6-11-20-12-7-16/h16,18H,3-15H2,1-2H3.
What are the key properties of N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine?
N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine is sourced from PubChem (CID 63713396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).