N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine

C10H21NO — CID 115892458

IUPACN-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine
SMILESCOC(C)C(C)NC1CC(C)C1
InChIInChI=1S/C10H21NO/c1-7-5-10(6-7)11-8(2)9(3)12-4/h7-11H,5-6H2,1-4H3
InChIKeyXKVHWSXHEIVXKD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine

N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine (PubChem CID 115892458) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine
PubChem CID115892458
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine
SMILESCOC(C)C(C)NC1CC(C)C1
InChIInChI=1S/C10H21NO/c1-7-5-10(6-7)11-8(2)9(3)12-4/h7-11H,5-6H2,1-4H3
InChIKeyXKVHWSXHEIVXKD-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-(2,2-difluoroethoxy)ethyl]-3-methylcyclobutan-1-amine
CID 103082752
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 116014724
3-methyl-N-[2-(trifluoromethoxy)ethyl]cyclobutan-1-amine
CID 116045365
1-Fluoro-3-[(3-methylcyclobutyl)amino]propan-2-ol
CID 131219845
N-[(2S)-1-methoxypropan-2-yl]-3-methylbutan-1-amine
CID 28441871
N-(1-methoxypropan-2-yl)-3-methylbutan-1-amine
CID 43177904
(2-Methoxyethyl)(4-methylpentan-2-yl)amine
CID 43190116
(2-Methoxyethyl)(3-methylbutan-2-yl)amine
CID 43190141
(1-Methoxypropan-2-yl)(4-methylpentan-2-yl)amine
CID 43191824
N-(2-ethoxyethyl)-4-methylpentan-2-amine
CID 43457182
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclobutanamine
CID 57632434
N-[2-(2,3-dimethylbutan-2-yloxy)ethyl]cyclobutanamine
CID 57637207

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine?
The IUPAC name of N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine (CID 115892458) is N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine?
The canonical SMILES for N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine is COC(C)C(C)NC1CC(C)C1.
What is the InChIKey of N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine?
The InChIKey is XKVHWSXHEIVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-7-5-10(6-7)11-8(2)9(3)12-4/h7-11H,5-6H2,1-4H3.
What are the key properties of N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine?
N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-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-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine is sourced from PubChem (CID 115892458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).