N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine

C16H28N2 — CID 62002474

IUPACN'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine
SMILESCCc1ccc(N(C)CCCCCCCN)cc1
InChIInChI=1S/C16H28N2/c1-3-15-9-11-16(12-10-15)18(2)14-8-6-4-5-7-13-17/h9-12H,3-8,13-14,17H2,1-2H3
InChIKeyQQMDYETVGVTNNQ-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.59
Rot. Bonds9

About N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine

N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine (PubChem CID 62002474) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine
PubChem CID62002474
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine
SMILESCCc1ccc(N(C)CCCCCCCN)cc1
InChIInChI=1S/C16H28N2/c1-3-15-9-11-16(12-10-15)18(2)14-8-6-4-5-7-13-17/h9-12H,3-8,13-14,17H2,1-2H3
InChIKeyQQMDYETVGVTNNQ-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N'-(4-ethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434760
N'-(4-ethylphenyl)-N'-methyl-N-propylbutane-1,4-diamine
CID 62434751
N'-methyl-N'-(4-propan-2-ylsulfanylphenyl)butane-1,4-diamine
CID 115201141
1-N,4-N-dibutyl-1-N,4-N-dimethylbenzene-1,4-diamine
CID 18699513
(4-ethyl-N-methylanilino)methanethiol
CID 115227706
2-ethoxy-N'-(4-ethylphenyl)-N'-methylbutane-1,4-diamine
CID 63070653
4-N-methyl-4-N-pentylbenzene-1,4-diamine
CID 28894857
N,4-dibutyl-N-methylaniline
CID 118183375
ethene;N'-methyl-N'-phenylpropane-1,3-diamine
CID 143617453
N'-(4-ethylphenyl)-N'-methyl-N-propylethane-1,2-diamine
CID 62003417
3-N-(4-ethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119487
N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 62258743

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine?
The IUPAC name of N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine (CID 62002474) is N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine.
What is the SMILES notation for N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine?
The canonical SMILES for N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine is CCc1ccc(N(C)CCCCCCCN)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine?
The InChIKey is QQMDYETVGVTNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-3-15-9-11-16(12-10-15)18(2)14-8-6-4-5-7-13-17/h9-12H,3-8,13-14,17H2,1-2H3.
What are the key properties of N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine?
N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine is sourced from PubChem (CID 62002474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).