N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine

C13H27NO — CID 64730061

IUPACN-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine
SMILESCC1CC(C)CC(OCCNC(C)C)C1
InChIInChI=1S/C13H27NO/c1-10(2)14-5-6-15-13-8-11(3)7-12(4)9-13/h10-14H,5-9H2,1-4H3
InChIKeyTUBPSANXGBNWGC-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds5

About N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine

N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine (PubChem CID 64730061) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine
PubChem CID64730061
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC NameN-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine
SMILESCC1CC(C)CC(OCCNC(C)C)C1
InChIInChI=1S/C13H27NO/c1-10(2)14-5-6-15-13-8-11(3)7-12(4)9-13/h10-14H,5-9H2,1-4H3
InChIKeyTUBPSANXGBNWGC-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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

5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
CID 64731034
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine
CID 64731424
4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 64729623
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine
CID 64731413
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
CID 64731235
1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine
CID 107506878
1-[4-[2-(propan-2-ylamino)ethoxy]piperidin-1-yl]propane-2-thiol
CID 166733114
3-(3,5-dimethylcyclohexyl)oxypropanal
CID 64729407
N-(2-cyclohexyloxyethyl)propan-2-amine;1-methyl-4-propan-2-ylpiperidine
CID 166118635
3-(3,5-dimethylcyclohexyl)oxy-2-(propan-2-ylamino)propanenitrile
CID 64728438
N-(2-cyclopentyloxyethyl)-1-methoxypropan-2-amine
CID 62567439
2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine
CID 64731405

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine?
The IUPAC name of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine (CID 64730061) is N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine is CC1CC(C)CC(OCCNC(C)C)C1.
What is the InChIKey of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine?
The InChIKey is TUBPSANXGBNWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)14-5-6-15-13-8-11(3)7-12(4)9-13/h10-14H,5-9H2,1-4H3.
What are the key properties of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine?
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine is sourced from PubChem (CID 64730061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).