N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C18H33N3 — CID 79662952

IUPACN'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H33N3/c1-7-12-21(14-18(3,4)13-19)15(2)16-8-10-17(11-9-16)20(5)6/h8-11,15H,7,12-14,19H2,1-6H3
InChIKeyLJJSDDIWWYQDSA-UHFFFAOYSA-N
MW291.48 g/mol
LogP3.51
Rot. Bonds8

About N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79662952) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79662952
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C(C)c1ccc(N(C)C)cc1
InChIInChI=1S/C18H33N3/c1-7-12-21(14-18(3,4)13-19)15(2)16-8-10-17(11-9-16)20(5)6/h8-11,15H,7,12-14,19H2,1-6H3
InChIKeyLJJSDDIWWYQDSA-UHFFFAOYSA-N
XLogP3.51
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-N'-[1-(5-methylfuran-2-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668547
2-[1-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]benzene-1,3-diol
CID 107711458
N'-[1-(5-bromofuran-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 104653819
2,2-dimethyl-N'-[1-(2-methylphenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668294
2,2-dimethyl-N'-propan-2-yl-N'-propylpropane-1,3-diamine
CID 62263476
N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667729
N'-[1-(2,5-dimethylphenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668132
2,2-dimethyl-N'-[1-(3-methylthiophen-2-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79668305
N',2,2-trimethyl-N'-[1-(4-propylphenyl)ethyl]propane-1,3-diamine
CID 79645598
N'-[1-(2-chloro-4-fluorophenyl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668052
2-[1-[(3-amino-2,2-dimethylpropyl)-propylamino]ethyl]-4-methylphenol
CID 79660774
N'-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methylethane-1,2-diamine
CID 62682189

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79662952) is N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)C(C)c1ccc(N(C)C)cc1.
What is the InChIKey of N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is LJJSDDIWWYQDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-7-12-21(14-18(3,4)13-19)15(2)16-8-10-17(11-9-16)20(5)6/h8-11,15H,7,12-14,19H2,1-6H3.
What are the key properties of N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 291.48 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(dimethylamino)phenyl]ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79662952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).