N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine

C10H21NO — CID 103033609

IUPACN-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine
SMILESCOC(C)(C)CCNC1(C)CC1
InChIInChI=1S/C10H21NO/c1-9(2,12-4)7-8-11-10(3)5-6-10/h11H,5-8H2,1-4H3
InChIKeySYJPLTIADFQAGL-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.94
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine

N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine (PubChem CID 103033609) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine
PubChem CID103033609
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine
SMILESCOC(C)(C)CCNC1(C)CC1
InChIInChI=1S/C10H21NO/c1-9(2,12-4)7-8-11-10(3)5-6-10/h11H,5-8H2,1-4H3
InChIKeySYJPLTIADFQAGL-UHFFFAOYSA-N
XLogP1.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine (CID 103033609) is N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine is COC(C)(C)CCNC1(C)CC1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine?
The InChIKey is SYJPLTIADFQAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2,12-4)7-8-11-10(3)5-6-10/h11H,5-8H2,1-4H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine?
N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-3-methylbutyl)-1-methylcyclopropan-1-amine is sourced from PubChem (CID 103033609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).