N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine

C16H28N2O — CID 62258901

IUPACN-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-6-11-17-12-16(2,3)13-18(4)14-7-9-15(19-5)10-8-14/h7-10,17H,6,11-13H2,1-5H3
InChIKeyDIMMSYFJMFJLNR-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.16
Rot. Bonds8

About N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine

N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine (PubChem CID 62258901) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
PubChem CID62258901
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine
SMILESCCCNCC(C)(C)CN(C)c1ccc(OC)cc1
InChIInChI=1S/C16H28N2O/c1-6-11-17-12-16(2,3)13-18(4)14-7-9-15(19-5)10-8-14/h7-10,17H,6,11-13H2,1-5H3
InChIKeyDIMMSYFJMFJLNR-UHFFFAOYSA-N
XLogP3.16
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine (CID 62258901) is N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine is CCCNCC(C)(C)CN(C)c1ccc(OC)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is DIMMSYFJMFJLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-11-17-12-16(2,3)13-18(4)14-7-9-15(19-5)10-8-14/h7-10,17H,6,11-13H2,1-5H3.
What are the key properties of N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine?
N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 264.41 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-N,2,2-trimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 62258901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).