2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine

C14H29NO — CID 65180373

IUPAC2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CCCOCC
InChIInChI=1S/C14H29NO/c1-3-11-15-14-10-6-5-8-13(14)9-7-12-16-4-2/h13-15H,3-12H2,1-2H3
InChIKeyYSFVBTGVHYCEKZ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About 2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine

2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine (PubChem CID 65180373) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
PubChem CID65180373
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CCCOCC
InChIInChI=1S/C14H29NO/c1-3-11-15-14-10-6-5-8-13(14)9-7-12-16-4-2/h13-15H,3-12H2,1-2H3
InChIKeyYSFVBTGVHYCEKZ-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
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

2-(3-ethoxypropyl)-N,4-dipropylcyclohexan-1-amine
CID 65180818
2-(3-phenoxypropyl)-N-propylcyclohexan-1-amine
CID 62937483
2-[2-(2-propoxyethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573655
2-[2-(2-cyclobutylethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 106200997
2-[[bis(2-ethoxyethyl)amino]methyl]-N-propylcyclopentan-1-amine
CID 82939975
2-(3-phenoxypropyl)-N-propylcyclopentan-1-amine
CID 62937136
2-(chloromethyl)-N-(3-ethoxypropyl)cyclopentan-1-amine
CID 106365073
2-[2-(4-methylcyclohexyl)oxyethyl]-N-propylcyclopentan-1-amine
CID 79572685
2-[2-(2-methylbutan-2-yloxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573262
2-(3-ethoxypropyl)cycloheptan-1-amine
CID 65180588
2-(3-methylbutyl)-N-propylcyclopentan-1-amine
CID 61381970
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-propylcyclooctane-1,2-diamine
CID 63696132

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine?
The IUPAC name of 2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine (CID 65180373) is 2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CCCOCC.
What is the InChIKey of 2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine?
The InChIKey is YSFVBTGVHYCEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-11-15-14-10-6-5-8-13(14)9-7-12-16-4-2/h13-15H,3-12H2,1-2H3.
What are the key properties of 2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine?
2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypropyl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 65180373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).