N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine

C14H29NO — CID 62582719

IUPACN-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCCOCC1CCCCC1
InChIInChI=1S/C14H29NO/c1-13(2)8-9-15-10-11-16-12-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyYPQITXPENKVXLG-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.22
Rot. Bonds8

About N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine

N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine (PubChem CID 62582719) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine
PubChem CID62582719
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine
SMILESCC(C)CCNCCOCC1CCCCC1
InChIInChI=1S/C14H29NO/c1-13(2)8-9-15-10-11-16-12-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyYPQITXPENKVXLG-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.22
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

N-(cyclohexylmethyl)-2-(3-methylbutoxy)ethanamine
CID 61483668
N-[2-(cyclopentylmethoxy)ethyl]-3-propan-2-yloxypropan-1-amine
CID 66323366
3-methylbutoxymethylcyclobutane
CID 66602657
N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
N-[2-(cyclopentylmethoxy)ethyl]-3-methoxypropan-1-amine
CID 66322077
N-(cyclopentylmethyl)-2-(cyclopropylmethoxy)ethanamine
CID 62599762
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201
2-(cyclobutylmethoxy)-N-ethylethanamine
CID 65457853
N-[2-(cyclobutylmethoxy)ethyl]propan-2-amine
CID 65458090
6-(cyclopentylmethoxy)-N-(2-methylpropyl)hexan-1-amine
CID 66321215
3-methylbutoxymethylcyclopropane
CID 58970607
5-(cyclohexylmethoxy)-N-methylpentan-2-amine
CID 62382044

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine?
The IUPAC name of N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine (CID 62582719) is N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine?
The canonical SMILES for N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine is CC(C)CCNCCOCC1CCCCC1.
What is the InChIKey of N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine?
The InChIKey is YPQITXPENKVXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-13(2)8-9-15-10-11-16-12-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine?
N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylmethoxy)ethyl]-3-methylbutan-1-amine is sourced from PubChem (CID 62582719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).