N-butan-2-yl-2,2-dimethyloxolan-3-amine

C10H21NO — CID 130870642

IUPACN-butan-2-yl-2,2-dimethyloxolan-3-amine
SMILESCCC(C)NC1CCOC1(C)C
InChIInChI=1S/C10H21NO/c1-5-8(2)11-9-6-7-12-10(9,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyWEQPAUIJCYWAJJ-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds3

About N-butan-2-yl-2,2-dimethyloxolan-3-amine

N-butan-2-yl-2,2-dimethyloxolan-3-amine (PubChem CID 130870642) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-butan-2-yl-2,2-dimethyloxolan-3-amine.

Molecular Properties

Compound NameN-butan-2-yl-2,2-dimethyloxolan-3-amine
PubChem CID130870642
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-butan-2-yl-2,2-dimethyloxolan-3-amine
SMILESCCC(C)NC1CCOC1(C)C
InChIInChI=1S/C10H21NO/c1-5-8(2)11-9-6-7-12-10(9,3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyWEQPAUIJCYWAJJ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
[(3S)-2,2-dimethyloxolan-3-yl]hydrazine
CID 125181041
1-(2,2-dimethyloxolan-3-yl)-N-methylpropan-1-amine
CID 130696845
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
2,2-dimethyl-N-(3-methylbut-2-enyl)oxolan-3-amine
CID 130683160
1-[(2,2-dimethyloxolan-3-yl)amino]-2-methylpropan-2-ol
CID 130649838
2,2-dimethyl-N-(oxetan-3-yl)oxolan-3-amine
CID 130702884
N-(2,2-dimethyloxolan-3-yl)methanesulfonamide
CID 130977746
4-(aminomethyl)-N-butan-2-yl-4-methylcyclohexan-1-amine
CID 165469452
N-butan-2-yl-4-propan-2-ylcyclohexan-1-amine
CID 62702797
(3R)-2,2-dimethyloxolan-3-ol
CID 13327311
N-butan-2-yl-2-tert-butylcyclohexan-1-amine
CID 43078481

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,2-dimethyloxolan-3-amine?
The IUPAC name of N-butan-2-yl-2,2-dimethyloxolan-3-amine (CID 130870642) is N-butan-2-yl-2,2-dimethyloxolan-3-amine.
What is the SMILES notation for N-butan-2-yl-2,2-dimethyloxolan-3-amine?
The canonical SMILES for N-butan-2-yl-2,2-dimethyloxolan-3-amine is CCC(C)NC1CCOC1(C)C.
What is the InChIKey of N-butan-2-yl-2,2-dimethyloxolan-3-amine?
The InChIKey is WEQPAUIJCYWAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-8(2)11-9-6-7-12-10(9,3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of N-butan-2-yl-2,2-dimethyloxolan-3-amine?
N-butan-2-yl-2,2-dimethyloxolan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2-dimethyloxolan-3-amine is sourced from PubChem (CID 130870642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).