4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine

C15H32N2O — CID 79112173

IUPAC4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCCOCCN(CCC)C1CCC(N)CC1
InChIInChI=1S/C15H32N2O/c1-3-5-12-18-13-11-17(10-4-2)15-8-6-14(16)7-9-15/h14-15H,3-13,16H2,1-2H3
InChIKeyCZXXMMUZEZSGHH-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.79
Rot. Bonds9

About 4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine

4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79112173) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is 4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79112173
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC Name4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCCOCCN(CCC)C1CCC(N)CC1
InChIInChI=1S/C15H32N2O/c1-3-5-12-18-13-11-17(10-4-2)15-8-6-14(16)7-9-15/h14-15H,3-13,16H2,1-2H3
InChIKeyCZXXMMUZEZSGHH-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.79
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-(3-pentoxypropyl)-N-propylcyclopropanamine
CID 156795180
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
N-(2-bromoethyl)-N-(2-butoxyethyl)cyclobutanamine
CID 102860799
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine
CID 63386914
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine
CID 79111807
ethyl 2-[2-butoxyethyl(cyclopropyl)amino]acetate
CID 62027220
4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine
CID 103034869
2-[2-[2-(2-butoxyethoxy)ethoxy]ethyl-cyclopropylamino]acetic acid
CID 104564790
4-N-(3-methylbut-3-enyl)-4-N-propylcyclohexane-1,4-diamine
CID 114473388
ethyl 6-[(4-aminocyclohexyl)-propylamino]hexanoate
CID 79117513

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine (CID 79112173) is 4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine is CCCCOCCN(CCC)C1CCC(N)CC1.
What is the InChIKey of 4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is CZXXMMUZEZSGHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-3-5-12-18-13-11-17(10-4-2)15-8-6-14(16)7-9-15/h14-15H,3-13,16H2,1-2H3.
What are the key properties of 4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79112173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).