2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine

C18H37NO2 — CID 106447149

IUPAC2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1OCCOCC(C)C
InChIInChI=1S/C18H37NO2/c1-5-7-16-8-9-17(19-10-6-2)18(13-16)21-12-11-20-14-15(3)4/h15-19H,5-14H2,1-4H3
InChIKeyZCDCQMJHUYEIFI-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.01
Rot. Bonds11

About 2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine

2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine (PubChem CID 106447149) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine
PubChem CID106447149
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1OCCOCC(C)C
InChIInChI=1S/C18H37NO2/c1-5-7-16-8-9-17(19-10-6-2)18(13-16)21-12-11-20-14-15(3)4/h15-19H,5-14H2,1-4H3
InChIKeyZCDCQMJHUYEIFI-UHFFFAOYSA-N
XLogP4.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(2-methylpentoxy)-4-propylcyclohexan-1-amine
CID 103283501
N-ethyl-2-octoxy-4-propylcyclohexan-1-amine
CID 63474035
2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine
CID 106454487
2-(3-methylbutoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63474366
2-(3-ethoxypropyl)-N,4-dipropylcyclohexan-1-amine
CID 65180818
2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine
CID 103410737
N-ethyl-4-propyl-2-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82788586
2-(2-methylpentoxy)-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 103283261
2-(2-methylpropylsulfinyl)-N,4-dipropylcyclohexan-1-amine
CID 64651231
4-tert-butyl-2-(3-methylbutoxy)-N-propylcyclohexan-1-amine
CID 63473832
2-(2-propoxyethoxy)-N-propylcycloheptan-1-amine
CID 55233054
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine?
The IUPAC name of 2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine (CID 106447149) is 2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine is CCCNC1CCC(CCC)CC1OCCOCC(C)C.
What is the InChIKey of 2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine?
The InChIKey is ZCDCQMJHUYEIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-5-7-16-8-9-17(19-10-6-2)18(13-16)21-12-11-20-14-15(3)4/h15-19H,5-14H2,1-4H3.
What are the key properties of 2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine?
2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine has a molecular weight of 299.50 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpropoxy)ethoxy]-N,4-dipropylcyclohexan-1-amine is sourced from PubChem (CID 106447149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).