4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine

C17H36N2O — CID 79123103

IUPAC4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CCOCCC(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-5-11-18-16-6-8-17(9-7-16)19(4)12-14-20-13-10-15(2)3/h15-18H,5-14H2,1-4H3
InChIKeyBIIVONKJNSNZDK-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.29
Rot. Bonds10

About 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine

4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine (PubChem CID 79123103) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine
PubChem CID79123103
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)CCOCCC(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-5-11-18-16-6-8-17(9-7-16)19(4)12-14-20-13-10-15(2)3/h15-18H,5-14H2,1-4H3
InChIKeyBIIVONKJNSNZDK-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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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Related Compounds

3-N-(2-ethoxyethyl)-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 81059535
4-N-methyl-4-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 112587794
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
CID 79122269
N-methyl-N-[2-[2-(propylamino)ethoxy]ethyl]cyclopropanamine
CID 102740758
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
N-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]cyclopropanamine
CID 102740741
N-[2-(3-methylbutoxy)ethyl]cyclopentanamine
CID 61483822
3-[methyl-[4-(propylamino)cyclohexyl]amino]propane-1,2-diol
CID 82842719
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
1-N-cyclopropyl-3-N-(2-ethoxyethyl)-3-N-methylbutane-1,3-diamine
CID 81074188
4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 107898574

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine (CID 79123103) is 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)CCOCCC(C)C)CC1.
What is the InChIKey of 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is BIIVONKJNSNZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-5-11-18-16-6-8-17(9-7-16)19(4)12-14-20-13-10-15(2)3/h15-18H,5-14H2,1-4H3.
What are the key properties of 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine?
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 284.49 g/mol, XLogP of 3.29, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79123103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).