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

C13H27NO — CID 103033137

IUPACN-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCC1CCCCC1
InChIInChI=1S/C13H27NO/c1-13(2,15-3)9-10-14-11-12-7-5-4-6-8-12/h12,14H,4-11H2,1-3H3
InChIKeyNLYRRCBPBOJKAV-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds6

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

N-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine (PubChem CID 103033137) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine
PubChem CID103033137
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine
SMILESCOC(C)(C)CCNCC1CCCCC1
InChIInChI=1S/C13H27NO/c1-13(2,15-3)9-10-14-11-12-7-5-4-6-8-12/h12,14H,4-11H2,1-3H3
InChIKeyNLYRRCBPBOJKAV-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

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

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Related Compounds

(Cyclohexylmethyl)(2-methoxyethyl)amine
CID 17158410
N-(3-methoxy-3-methylbutyl)-3-methylcyclohexan-1-amine
CID 103033135
N-(cyclopentylmethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033136
N-(2-cyclopentylethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033175
N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
N-[(1S)-1-cyclopentylethyl]-3-methoxy-3-methylbutan-1-amine
CID 103033492
N-(3-methoxy-3-methylbutyl)-5-methylhexan-1-amine
CID 103033507
N-(2-cyclobutylethyl)-3-methoxy-3-methylbutan-1-amine
CID 103033599
2-ethyl-N-(3-methoxy-3-methylbutyl)butan-1-amine
CID 103033638
N-(3-cyclopropylpropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033643
2-[1-(3-Methoxy-3-methylbutyl)piperidin-3-yl]ethanamine
CID 103034849
2-(aminomethyl)-N-(3-methoxy-3-methylbutyl)-N-methylcyclohexan-1-amine
CID 103034859

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine?
The IUPAC name of N-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine (CID 103033137) is N-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine?
The canonical SMILES for N-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine is COC(C)(C)CCNCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine?
The InChIKey is NLYRRCBPBOJKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-13(2,15-3)9-10-14-11-12-7-5-4-6-8-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine?
N-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-methoxy-3-methylbutan-1-amine is sourced from PubChem (CID 103033137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).