2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine

C17H35NO — CID 106454487

IUPAC2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1CCOCCC
InChIInChI=1S/C17H35NO/c1-4-7-15-8-9-17(18-11-5-2)16(14-15)10-13-19-12-6-3/h15-18H,4-14H2,1-3H3
InChIKeyAQWZTJKOJIAPOQ-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.39
Rot. Bonds10

About 2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine

2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine (PubChem CID 106454487) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine
PubChem CID106454487
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine
SMILESCCCNC1CCC(CCC)CC1CCOCCC
InChIInChI=1S/C17H35NO/c1-4-7-15-8-9-17(18-11-5-2)16(14-15)10-13-19-12-6-3/h15-18H,4-14H2,1-3H3
InChIKeyAQWZTJKOJIAPOQ-UHFFFAOYSA-N
XLogP4.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.39
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-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine
CID 103410737
2-[2-(2-propoxyethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 79573655
1-chloro-2-(2-propoxyethyl)-4-propylcyclohexane
CID 106456004
2-(2-ethylbutyl)-N,4-dipropylcyclohexan-1-amine
CID 82929498
N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410736
2-[2-(2-cyclobutylethoxy)ethyl]-N-propylcyclopentan-1-amine
CID 106200997
2-[[ethyl(2-methoxyethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
CID 63495212
4-ethyl-2-(4-methoxybutyl)-N-propylcyclohexan-1-amine
CID 113436996
2-[[butan-2-yl(ethyl)amino]methyl]-N,4-dipropylcyclohexan-1-amine
CID 63483809
2-[2-hydroxyethyl-[[5-propyl-2-(propylamino)cyclohexyl]methyl]amino]ethanol
CID 62610825
1-[[5-propyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 62614801

Frequently Asked Questions

What is the IUPAC name of 2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine?
The IUPAC name of 2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine (CID 106454487) is 2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine?
The canonical SMILES for 2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine is CCCNC1CCC(CCC)CC1CCOCCC.
What is the InChIKey of 2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine?
The InChIKey is AQWZTJKOJIAPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-4-7-15-8-9-17(18-11-5-2)16(14-15)10-13-19-12-6-3/h15-18H,4-14H2,1-3H3.
What are the key properties of 2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine?
2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propoxyethyl)-N,4-dipropylcyclohexan-1-amine is sourced from PubChem (CID 106454487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).