N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine

C17H34N2O — CID 62255912

IUPACN-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)CC2CCCCO2)CCCC1
InChIInChI=1S/C17H34N2O/c1-15(2)18-13-17(9-5-6-10-17)14-19(3)12-16-8-4-7-11-20-16/h15-16,18H,4-14H2,1-3H3
InChIKeyCVWPKZGIBZEKJU-UHFFFAOYSA-N
MW282.47 g/mol
LogP3.05
Rot. Bonds7

About N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine

N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 62255912) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID62255912
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC NameN-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)CC2CCCCO2)CCCC1
InChIInChI=1S/C17H34N2O/c1-15(2)18-13-17(9-5-6-10-17)14-19(3)12-16-8-4-7-11-20-16/h15-16,18H,4-14H2,1-3H3
InChIKeyCVWPKZGIBZEKJU-UHFFFAOYSA-N
XLogP3.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine (CID 62255912) is N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine is CC(C)NCC1(CN(C)CC2CCCCO2)CCCC1.
What is the InChIKey of N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is CVWPKZGIBZEKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-15(2)18-13-17(9-5-6-10-17)14-19(3)12-16-8-4-7-11-20-16/h15-16,18H,4-14H2,1-3H3.
What are the key properties of N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine?
N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 282.47 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 62255912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).