N-[(2R)-3-methylbutan-2-yl]oxan-4-amine

C10H21NO — CID 93218328

IUPACN-[(2R)-3-methylbutan-2-yl]oxan-4-amine
SMILESCC(C)[C@@H](C)NC1CCOCC1
InChIInChI=1S/C10H21NO/c1-8(2)9(3)11-10-4-6-12-7-5-10/h8-11H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyQZHZHYZTGJKRAP-SECBINFHSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds3

About N-[(2R)-3-methylbutan-2-yl]oxan-4-amine

N-[(2R)-3-methylbutan-2-yl]oxan-4-amine (PubChem CID 93218328) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-[(2R)-3-methylbutan-2-yl]oxan-4-amine.

Molecular Properties

Compound NameN-[(2R)-3-methylbutan-2-yl]oxan-4-amine
PubChem CID93218328
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-[(2R)-3-methylbutan-2-yl]oxan-4-amine
SMILESCC(C)[C@@H](C)NC1CCOCC1
InChIInChI=1S/C10H21NO/c1-8(2)9(3)11-10-4-6-12-7-5-10/h8-11H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyQZHZHYZTGJKRAP-SECBINFHSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-(3-methylbutan-2-yl)cyclopropanamine
CID 16772546
N-(3-methylbutan-2-yl)cycloheptanamine
CID 43181172
N-(3-cyclohexylbutan-2-yl)oxolan-3-amine
CID 115726479
N-(1-cyclopropylpropan-2-yl)oxan-4-amine
CID 63989117
4-(3-methylbutan-2-ylamino)cyclohexan-1-one
CID 127000025
N-(1-methoxy-4-methylpentan-3-yl)oxan-4-amine
CID 115710262
3-methyl-2-(oxepan-4-ylamino)butan-1-ol
CID 79254168
N-(1-cyclohexylethyl)oxepan-4-amine
CID 65079313
1-cyclopropyl-N-(3-methylbutan-2-yl)piperidin-4-amine
CID 43747064
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 63098151
N-(1-phenylethyl)oxan-4-amine
CID 43608319
N-methyl-N'-(oxan-4-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252718

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbutan-2-yl]oxan-4-amine?
The IUPAC name of N-[(2R)-3-methylbutan-2-yl]oxan-4-amine (CID 93218328) is N-[(2R)-3-methylbutan-2-yl]oxan-4-amine.
What is the SMILES notation for N-[(2R)-3-methylbutan-2-yl]oxan-4-amine?
The canonical SMILES for N-[(2R)-3-methylbutan-2-yl]oxan-4-amine is CC(C)[C@@H](C)NC1CCOCC1.
What is the InChIKey of N-[(2R)-3-methylbutan-2-yl]oxan-4-amine?
The InChIKey is QZHZHYZTGJKRAP-SECBINFHSA-N. The full InChI is InChI=1S/C10H21NO/c1-8(2)9(3)11-10-4-6-12-7-5-10/h8-11H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of N-[(2R)-3-methylbutan-2-yl]oxan-4-amine?
N-[(2R)-3-methylbutan-2-yl]oxan-4-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbutan-2-yl]oxan-4-amine is sourced from PubChem (CID 93218328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).