N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine

C11H23NO — CID 103033132

IUPACN-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCC1CCC1
InChIInChI=1S/C11H23NO/c1-11(2,13-3)7-8-12-9-10-5-4-6-10/h10,12H,4-9H2,1-3H3
InChIKeyXHPNEDUTLWXPGX-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.19
Rot. Bonds6

About N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine

N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103033132) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103033132
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCC1CCC1
InChIInChI=1S/C11H23NO/c1-11(2,13-3)7-8-12-9-10-5-4-6-10/h10,12H,4-9H2,1-3H3
InChIKeyXHPNEDUTLWXPGX-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-3-methyl-N-(3-methylbutyl)butan-1-amine
CID 103033087
3-methoxy-3-methyl-N-(3-methylbutan-2-yl)butan-1-amine
CID 103033128
N-(3-methoxy-3-methylbutyl)-4-methylpentan-2-amine
CID 103033138
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
N-(3-methoxy-3-methylbutyl)-5-methylhexan-1-amine
CID 103033507
3-methoxy-3-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine
CID 103033583
N-(3-methoxy-3-methylbutyl)-3-methylcyclobutan-1-amine
CID 103033591
N-(2-cyclopropylpropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033593
N-(2-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033599
N-(3-methoxy-3-methylbutyl)-1-methylcyclobutan-1-amine
CID 103033610
1-ethyl-N-(3-methoxy-3-methylbutyl)cyclobutan-1-amine
CID 103033615
N-(1-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033632

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine (CID 103033132) is N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CCNCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is XHPNEDUTLWXPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2,13-3)7-8-12-9-10-5-4-6-10/h10,12H,4-9H2,1-3H3.
What are the key properties of N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine?
N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103033132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).