3-cyclobutyloxy-N-methylheptan-4-amine

C12H25NO — CID 62115090

IUPAC3-cyclobutyloxy-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)OC1CCC1
InChIInChI=1S/C12H25NO/c1-4-7-11(13-3)12(5-2)14-10-8-6-9-10/h10-13H,4-9H2,1-3H3
InChIKeyUCIVQQGAQRTFAT-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds7

About 3-cyclobutyloxy-N-methylheptan-4-amine

3-cyclobutyloxy-N-methylheptan-4-amine (PubChem CID 62115090) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-cyclobutyloxy-N-methylheptan-4-amine.

Molecular Properties

Compound Name3-cyclobutyloxy-N-methylheptan-4-amine
PubChem CID62115090
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-cyclobutyloxy-N-methylheptan-4-amine
SMILESCCCC(NC)C(CC)OC1CCC1
InChIInChI=1S/C12H25NO/c1-4-7-11(13-3)12(5-2)14-10-8-6-9-10/h10-13H,4-9H2,1-3H3
InChIKeyUCIVQQGAQRTFAT-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclohexylmethoxy)-N-methylheptan-4-amine
CID 55066438
3-cyclobutyloxy-N-methylbutan-1-amine
CID 114997103
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]heptan-4-amine
CID 112587366
1-cyclopentyl-3-methoxy-N-methylhexan-2-amine
CID 116718854
1-butan-2-yl-3-pentan-2-yloxycyclohexane
CID 123995677
2-cyclopropyloxypentan-3-yloxycyclopropane
CID 175423112
1-cyclopentyloxy-N-methylpentan-2-amine
CID 62042118
1-cyclohexyloxy-N-propylbutan-1-amine
CID 70405680
3-(2-cyclobutylethoxy)-N-propylheptan-4-amine
CID 106201007
2-cyclobutyloxy-3-methyl-N-propan-2-ylbutan-1-amine
CID 62442191
1-(2,6-dimethylcyclohexyl)-N-methylbutan-1-amine
CID 83047113
1-butan-2-yloxy-4-pentan-2-ylcyclohexane
CID 123764512

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-N-methylheptan-4-amine?
The IUPAC name of 3-cyclobutyloxy-N-methylheptan-4-amine (CID 62115090) is 3-cyclobutyloxy-N-methylheptan-4-amine.
What is the SMILES notation for 3-cyclobutyloxy-N-methylheptan-4-amine?
The canonical SMILES for 3-cyclobutyloxy-N-methylheptan-4-amine is CCCC(NC)C(CC)OC1CCC1.
What is the InChIKey of 3-cyclobutyloxy-N-methylheptan-4-amine?
The InChIKey is UCIVQQGAQRTFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-11(13-3)12(5-2)14-10-8-6-9-10/h10-13H,4-9H2,1-3H3.
What are the key properties of 3-cyclobutyloxy-N-methylheptan-4-amine?
3-cyclobutyloxy-N-methylheptan-4-amine has a molecular weight of 199.34 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-N-methylheptan-4-amine is sourced from PubChem (CID 62115090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).