N-(2-methylbutyl)oxan-4-amine

C10H21NO — CID 43609665

IUPACN-(2-methylbutyl)oxan-4-amine
SMILESCCC(C)CNC1CCOCC1
InChIInChI=1S/C10H21NO/c1-3-9(2)8-11-10-4-6-12-7-5-10/h9-11H,3-8H2,1-2H3
InChIKeyRPLBTKCORJGPLZ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About N-(2-methylbutyl)oxan-4-amine

N-(2-methylbutyl)oxan-4-amine (PubChem CID 43609665) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(2-methylbutyl)oxan-4-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)oxan-4-amine
PubChem CID43609665
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(2-methylbutyl)oxan-4-amine
SMILESCCC(C)CNC1CCOCC1
InChIInChI=1S/C10H21NO/c1-3-9(2)8-11-10-4-6-12-7-5-10/h9-11H,3-8H2,1-2H3
InChIKeyRPLBTKCORJGPLZ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutyl)cyclopentanamine
CID 43200714
N-(2-methylpropyl)oxan-4-amine;molecular hydrogen
CID 156813143
N-[2-methyl-3-(oxan-4-yl)propyl]cyclopropanamine
CID 62530286
N-(2-ethoxypropyl)oxan-4-amine
CID 115655582
N-[(4S)-2,4-dimethylhexyl]cyclopropanamine
CID 142895112
N-[(3S)-3-bromo-2-methylbutyl]oxan-4-amine
CID 147170571
N-[2-methyl-3-(oxan-4-yl)propyl]cyclobutanamine
CID 104586206
N-(2-methylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903955
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
1-ethyl-N-(2-methylbutyl)piperidin-4-amine
CID 61038759
N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252718
1-cyclopropyl-N-(2-methylbutyl)piperidin-4-amine
CID 43746988

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)oxan-4-amine?
The IUPAC name of N-(2-methylbutyl)oxan-4-amine (CID 43609665) is N-(2-methylbutyl)oxan-4-amine.
What is the SMILES notation for N-(2-methylbutyl)oxan-4-amine?
The canonical SMILES for N-(2-methylbutyl)oxan-4-amine is CCC(C)CNC1CCOCC1.
What is the InChIKey of N-(2-methylbutyl)oxan-4-amine?
The InChIKey is RPLBTKCORJGPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-3-9(2)8-11-10-4-6-12-7-5-10/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(2-methylbutyl)oxan-4-amine?
N-(2-methylbutyl)oxan-4-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)oxan-4-amine is sourced from PubChem (CID 43609665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).