N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine

C17H36N2O — CID 79569527

IUPACN,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine
SMILESCCCNC(COCCC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H36N2O/c1-6-12-18-16(14-20-13-7-2)17(19(4)5)10-8-15(3)9-11-17/h15-16,18H,6-14H2,1-5H3
InChIKeySLRACYCKCZCQII-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds9

About N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine

N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine (PubChem CID 79569527) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine
PubChem CID79569527
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC NameN,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine
SMILESCCCNC(COCCC)C1(N(C)C)CCC(C)CC1
InChIInChI=1S/C17H36N2O/c1-6-12-18-16(14-20-13-7-2)17(19(4)5)10-8-15(3)9-11-17/h15-16,18H,6-14H2,1-5H3
InChIKeySLRACYCKCZCQII-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine?
The IUPAC name of N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine (CID 79569527) is N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine.
What is the SMILES notation for N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine?
The canonical SMILES for N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine is CCCNC(COCCC)C1(N(C)C)CCC(C)CC1.
What is the InChIKey of N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine?
The InChIKey is SLRACYCKCZCQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-12-18-16(14-20-13-7-2)17(19(4)5)10-8-15(3)9-11-17/h15-16,18H,6-14H2,1-5H3.
What are the key properties of N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine?
N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-1-[2-propoxy-1-(propylamino)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 79569527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).