N-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine

C13H27NO — CID 67490119

IUPACN-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine
SMILESCOC(C)(C)CCNC1CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-11-5-7-12(8-6-11)14-10-9-13(2,3)15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyUSPMAIDLQWNHBX-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds5

About N-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine

N-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine (PubChem CID 67490119) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine
PubChem CID67490119
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine
SMILESCOC(C)(C)CCNC1CCC(C)CC1
InChIInChI=1S/C13H27NO/c1-11-5-7-12(8-6-11)14-10-9-13(2,3)15-4/h11-12,14H,5-10H2,1-4H3
InChIKeyUSPMAIDLQWNHBX-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
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)-4-methylcyclohexan-1-amine?
The IUPAC name of N-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine (CID 67490119) is N-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine?
The canonical SMILES for N-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine is COC(C)(C)CCNC1CCC(C)CC1.
What is the InChIKey of N-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine?
The InChIKey is USPMAIDLQWNHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11-5-7-12(8-6-11)14-10-9-13(2,3)15-4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine?
N-(3-methoxy-3-methylbutyl)-4-methylcyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 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)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 67490119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).