5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine

C13H27NO — CID 115325674

IUPAC5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
SMILESCC(C)CCCCNCC1CCCCO1
InChIInChI=1S/C13H27NO/c1-12(2)7-3-5-9-14-11-13-8-4-6-10-15-13/h12-14H,3-11H2,1-2H3
InChIKeyILDIKNHXSPSVJO-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine

5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine (PubChem CID 115325674) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
PubChem CID115325674
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine
SMILESCC(C)CCCCNCC1CCCCO1
InChIInChI=1S/C13H27NO/c1-12(2)7-3-5-9-14-11-13-8-4-6-10-15-13/h12-14H,3-11H2,1-2H3
InChIKeyILDIKNHXSPSVJO-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(oxan-2-ylmethyl)butan-1-amine
CID 106844706
N-ethyl-N'-(oxan-2-ylmethyl)propane-1,3-diamine
CID 62834649
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
3-ethoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 43403648
N-(oxan-2-ylmethyl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 43403677
N'-tert-butyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 60694368
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
4-methyl-6-(oxan-2-ylmethylamino)hexanoic acid
CID 65289755
3-cyclopentyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985345
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
4-(oxan-2-ylmethylamino)butanoic acid
CID 43473562
3-cyclohexyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 60985486

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine?
The IUPAC name of 5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine (CID 115325674) is 5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine.
What is the SMILES notation for 5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine?
The canonical SMILES for 5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine is CC(C)CCCCNCC1CCCCO1.
What is the InChIKey of 5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine?
The InChIKey is ILDIKNHXSPSVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-12(2)7-3-5-9-14-11-13-8-4-6-10-15-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine?
5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(oxan-2-ylmethyl)hexan-1-amine is sourced from PubChem (CID 115325674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).