N-(3-methoxybutan-2-yl)cyclobutanamine

C9H19NO — CID 115889558

IUPACN-(3-methoxybutan-2-yl)cyclobutanamine
SMILESCOC(C)C(C)NC1CCC1
InChIInChI=1S/C9H19NO/c1-7(8(2)11-3)10-9-5-4-6-9/h7-10H,4-6H2,1-3H3
InChIKeyYDOQAHUASLBFDL-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds4

About N-(3-methoxybutan-2-yl)cyclobutanamine

N-(3-methoxybutan-2-yl)cyclobutanamine (PubChem CID 115889558) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(3-methoxybutan-2-yl)cyclobutanamine.

Molecular Properties

Compound NameN-(3-methoxybutan-2-yl)cyclobutanamine
PubChem CID115889558
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(3-methoxybutan-2-yl)cyclobutanamine
SMILESCOC(C)C(C)NC1CCC1
InChIInChI=1S/C9H19NO/c1-7(8(2)11-3)10-9-5-4-6-9/h7-10H,4-6H2,1-3H3
InChIKeyYDOQAHUASLBFDL-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-3-methoxybutan-2-yl]cyclobutanamine
CID 131222697
N-(3-methoxybutan-2-yl)-4-methylcycloheptan-1-amine
CID 102795157
N-(3-methoxybutan-2-yl)-2,6-dimethylcyclohexan-1-amine
CID 115713241
N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine
CID 115892458
1-ethyl-N-(3-methoxybutan-2-yl)piperidin-3-amine
CID 115711412
4-(3-methoxybutan-2-ylamino)cyclohexane-1-carboxamide
CID 115889950
N-(3-methoxybutan-2-yl)-3,4-dimethylcyclohexan-1-amine
CID 104584846
N-(3-methoxybutan-2-yl)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 113481634
N-(1,1-dimethoxypropan-2-yl)-4-methylcycloheptan-1-amine
CID 65080149
cyclopropyl-[4-(3-methoxybutan-2-ylamino)piperidin-1-yl]methanone
CID 115709034
N-(3-methylbutan-2-yl)cycloheptanamine
CID 43181172
N-(1,1-dimethoxypropan-2-yl)-4-propylcycloheptan-1-amine
CID 65091481

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutan-2-yl)cyclobutanamine?
The IUPAC name of N-(3-methoxybutan-2-yl)cyclobutanamine (CID 115889558) is N-(3-methoxybutan-2-yl)cyclobutanamine.
What is the SMILES notation for N-(3-methoxybutan-2-yl)cyclobutanamine?
The canonical SMILES for N-(3-methoxybutan-2-yl)cyclobutanamine is COC(C)C(C)NC1CCC1.
What is the InChIKey of N-(3-methoxybutan-2-yl)cyclobutanamine?
The InChIKey is YDOQAHUASLBFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(8(2)11-3)10-9-5-4-6-9/h7-10H,4-6H2,1-3H3.
What are the key properties of N-(3-methoxybutan-2-yl)cyclobutanamine?
N-(3-methoxybutan-2-yl)cyclobutanamine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 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)cyclobutanamine is sourced from PubChem (CID 115889558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).