3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine

C13H26N2O — CID 66010095

IUPAC3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
SMILESCN(CC1CCCOC1)CC1CCC(N)C1
InChIInChI=1S/C13H26N2O/c1-15(8-11-4-5-13(14)7-11)9-12-3-2-6-16-10-12/h11-13H,2-10,14H2,1H3
InChIKeyKTHNHDMOEJDSFY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds4

About 3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine

3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine (PubChem CID 66010095) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
PubChem CID66010095
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine
SMILESCN(CC1CCCOC1)CC1CCC(N)C1
InChIInChI=1S/C13H26N2O/c1-15(8-11-4-5-13(14)7-11)9-12-3-2-6-16-10-12/h11-13H,2-10,14H2,1H3
InChIKeyKTHNHDMOEJDSFY-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 63044910
2-[methyl(oxan-3-ylmethyl)amino]acetamide
CID 63713511
2-methoxy-N'-methyl-N'-(oxan-3-ylmethyl)propane-1,3-diamine
CID 106114843
2,3,3-trimethyl-4-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 102627890
N-[(3-aminocyclopentyl)methyl]-N-methyloxolan-3-amine
CID 82739732
N'-methyl-N'-(oxan-3-ylmethyl)pentane-1,5-diamine
CID 63725582
2-(4-aminocyclohexyl)-N-methyl-N-(oxan-3-ylmethyl)acetamide
CID 63706765
2-methyl-1-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 63713490
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-1-(oxan-3-yl)methanamine
CID 115453877
1-chloro-3-[methyl(oxan-3-ylmethyl)amino]propan-2-ol
CID 112561683

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine?
The IUPAC name of 3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine (CID 66010095) is 3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine.
What is the SMILES notation for 3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine?
The canonical SMILES for 3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine is CN(CC1CCCOC1)CC1CCC(N)C1.
What is the InChIKey of 3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine?
The InChIKey is KTHNHDMOEJDSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15(8-11-4-5-13(14)7-11)9-12-3-2-6-16-10-12/h11-13H,2-10,14H2,1H3.
What are the key properties of 3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine?
3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(oxan-3-ylmethyl)amino]methyl]cyclopentan-1-amine is sourced from PubChem (CID 66010095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).