N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine

C15H31NO — CID 62444924

IUPACN-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
SMILESCCC1CCCCC1OCCCNC(C)(C)C
InChIInChI=1S/C15H31NO/c1-5-13-9-6-7-10-14(13)17-12-8-11-16-15(2,3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyDIZBOTXESAMNSQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.75
Rot. Bonds6

About N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine

N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine (PubChem CID 62444924) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
PubChem CID62444924
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
SMILESCCC1CCCCC1OCCCNC(C)(C)C
InChIInChI=1S/C15H31NO/c1-5-13-9-6-7-10-14(13)17-12-8-11-16-15(2,3)4/h13-14,16H,5-12H2,1-4H3
InChIKeyDIZBOTXESAMNSQ-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
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

1-(3-bromopropoxy)-2-ethylcyclohexane
CID 43135438
4-(2-ethylcyclohexyl)oxy-2-methyl-2-(propylamino)butan-1-ol
CID 64802334
1-(5-chloropentoxy)-2-ethylcyclohexane
CID 43348434
1-(6-chlorohexoxy)-2-ethylcyclohexane
CID 63499299
N-tert-butyl-4-cyclopentyloxybutan-1-amine
CID 62443463
N-[2-(2-ethylcyclohexyl)oxyethyl]-3-propan-2-yloxypropan-1-amine
CID 62566897
N-[2-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine
CID 55072973
N'-tert-butyl-N-(2-ethylcyclohexyl)ethane-1,2-diamine
CID 107445044
3-(2-ethylcyclohexyl)oxypropanal
CID 63041156
2-[2-(2-ethylcyclohexyl)oxyethyl]cyclopentan-1-ol
CID 79563747
3-(2-ethylcyclohexyl)oxypropanimidamide
CID 24694801
1,2-dibutoxycyclohexane
CID 24962665

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine?
The IUPAC name of N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine (CID 62444924) is N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine is CCC1CCCCC1OCCCNC(C)(C)C.
What is the InChIKey of N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine?
The InChIKey is DIZBOTXESAMNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-13-9-6-7-10-14(13)17-12-8-11-16-15(2,3)4/h13-14,16H,5-12H2,1-4H3.
What are the key properties of N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine?
N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylcyclohexyl)oxypropyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62444924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).