N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine

C16H31NO — CID 114192573

IUPACN-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine
SMILESCC(CCCCC1CCOCC1)CNC1CCC1
InChIInChI=1S/C16H31NO/c1-14(13-17-16-7-4-8-16)5-2-3-6-15-9-11-18-12-10-15/h14-17H,2-13H2,1H3
InChIKeyUYQMPWJBRZZQFL-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds8

About N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine

N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine (PubChem CID 114192573) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine.

Molecular Properties

Compound NameN-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine
PubChem CID114192573
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine
SMILESCC(CCCCC1CCOCC1)CNC1CCC1
InChIInChI=1S/C16H31NO/c1-14(13-17-16-7-4-8-16)5-2-3-6-15-9-11-18-12-10-15/h14-17H,2-13H2,1H3
InChIKeyUYQMPWJBRZZQFL-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
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

N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine
CID 104586206
N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine
CID 62530286
N-(2-methyl-5-methylsulfanylpentyl)cyclobutanamine
CID 114899187
N-(2-methylnonyl)oxolan-3-amine
CID 115688902
N-(2-methylbutyl)oxan-4-amine
CID 43609665
N-(1-cyclopentylethyl)-4-(oxan-4-yl)butan-1-amine
CID 114191053
N-methyl-1-(oxan-4-yl)nonan-5-amine
CID 114192171
N-(2-methyl-3-morpholin-4-ylpropyl)cyclopentanamine
CID 115641946
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
N-(4-chloro-2-methylbutyl)cycloheptanamine
CID 82936912
N-(3-cyclohexyl-2-methylpropyl)cyclobutanamine
CID 114899134

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine?
The IUPAC name of N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine (CID 114192573) is N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine.
What is the SMILES notation for N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine?
The canonical SMILES for N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine is CC(CCCCC1CCOCC1)CNC1CCC1.
What is the InChIKey of N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine?
The InChIKey is UYQMPWJBRZZQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-14(13-17-16-7-4-8-16)5-2-3-6-15-9-11-18-12-10-15/h14-17H,2-13H2,1H3.
What are the key properties of N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine?
N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-6-(oxan-4-yl)hexyl]cyclobutanamine is sourced from PubChem (CID 114192573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).