N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

C15H24Cl2N2 — CID 79667468

IUPACN'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cc(Cl)cc(Cl)c1)CC(C)(C)CN
InChIInChI=1S/C15H24Cl2N2/c1-4-5-19(11-15(2,3)10-18)9-12-6-13(16)8-14(17)7-12/h6-8H,4-5,9-11,18H2,1-3H3
InChIKeyNYWSBQLLAGOZPV-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.19
Rot. Bonds7

About N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79667468) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79667468
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC NameN'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(Cc1cc(Cl)cc(Cl)c1)CC(C)(C)CN
InChIInChI=1S/C15H24Cl2N2/c1-4-5-19(11-15(2,3)10-18)9-12-6-13(16)8-14(17)7-12/h6-8H,4-5,9-11,18H2,1-3H3
InChIKeyNYWSBQLLAGOZPV-UHFFFAOYSA-N
XLogP4.19
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79667468) is N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(Cc1cc(Cl)cc(Cl)c1)CC(C)(C)CN.
What is the InChIKey of N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is NYWSBQLLAGOZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N2/c1-4-5-19(11-15(2,3)10-18)9-12-6-13(16)8-14(17)7-12/h6-8H,4-5,9-11,18H2,1-3H3.
What are the key properties of N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 303.28 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79667468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).