N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine

C15H31NO — CID 103283512

IUPACN,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine
SMILESCCCC(C)COC1CCCC(C)(C)C1NC
InChIInChI=1S/C15H31NO/c1-6-8-12(2)11-17-13-9-7-10-15(3,4)14(13)16-5/h12-14,16H,6-11H2,1-5H3
InChIKeyWFIOGTGEKNNRSY-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds6

About N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine

N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine (PubChem CID 103283512) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine
PubChem CID103283512
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine
SMILESCCCC(C)COC1CCCC(C)(C)C1NC
InChIInChI=1S/C15H31NO/c1-6-8-12(2)11-17-13-9-7-10-15(3,4)14(13)16-5/h12-14,16H,6-11H2,1-5H3
InChIKeyWFIOGTGEKNNRSY-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-bromo-2-(2-methylpentoxy)cyclohexane
CID 103285067
6-(cyclohexylmethoxy)-N,2,2-trimethylcyclohexan-1-amine
CID 79834960
5-ethoxy-N,2,2-trimethylcyclopentan-1-amine
CID 79859712
1-iodo-2-(2-methylpentoxy)cyclooctane
CID 103285146
N,2,2-trimethyl-5-(2-propoxyethoxy)cyclopentan-1-amine
CID 79856528
N,2,2-trimethyl-5-(2-propan-2-yloxyethoxy)cyclopentan-1-amine
CID 79856249
2-(2-methylpentoxy)cyclododecan-1-ol
CID 103284744
5-butoxy-N,2,2-trimethylcyclopentan-1-amine
CID 79857081
2-N,3,3-trimethyl-1-N,1-N-bis(3-methylbutyl)cyclohexane-1,2-diamine
CID 107869702
2-N,3,3-trimethyl-1-N-propan-2-yl-1-N-propylcyclohexane-1,2-diamine
CID 79828904
1-N-ethyl-2-N,3,3-trimethyl-1-N-(2-methylbutyl)cyclohexane-1,2-diamine
CID 79829289
1-N-(2-methoxyethyl)-1-N-(1-methoxypropan-2-yl)-2-N,3,3-trimethylcyclohexane-1,2-diamine
CID 79828530

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine?
The IUPAC name of N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine (CID 103283512) is N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine?
The canonical SMILES for N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine is CCCC(C)COC1CCCC(C)(C)C1NC.
What is the InChIKey of N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine?
The InChIKey is WFIOGTGEKNNRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-6-8-12(2)11-17-13-9-7-10-15(3,4)14(13)16-5/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine?
N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-6-(2-methylpentoxy)cyclohexan-1-amine is sourced from PubChem (CID 103283512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).