N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine

C14H24N2 — CID 62258743

IUPACN'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCCc1ccc(N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C14H24N2/c1-5-12-6-8-13(9-7-12)16(4)11-14(2,3)10-15/h6-9H,5,10-11,15H2,1-4H3
InChIKeyXJVPDMVJOPTGIT-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.67
Rot. Bonds5

About N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine

N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 62258743) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine
PubChem CID62258743
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine
SMILESCCc1ccc(N(C)CC(C)(C)CN)cc1
InChIInChI=1S/C14H24N2/c1-5-12-6-8-13(9-7-12)16(4)11-14(2,3)10-15/h6-9H,5,10-11,15H2,1-4H3
InChIKeyXJVPDMVJOPTGIT-UHFFFAOYSA-N
XLogP2.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-ethylsulfanylphenyl)-N',2,2-trimethylpropane-1,3-diamine
CID 115199941
1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine
CID 62001526
N-(3-amino-2,2-dimethylpropyl)-3-(4-ethylphenyl)-N-methylpropanamide;hydrochloride
CID 119654388
(4-ethyl-N-methylanilino)methanethiol
CID 115227706
2-amino-2-cyclopropyl-3-(4-ethyl-N-methylanilino)propan-1-ol
CID 64789557
4-(3-amino-2,2-dimethylpropyl)-N,N-dimethylaniline
CID 82111054
N'-(4-ethylphenyl)-N'-methylheptane-1,7-diamine
CID 62002474
3-N-(4-ethylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119487
N-(3-amino-2,2-dimethylpropyl)-2-(4-ethylphenoxy)-N-methylacetamide;hydrochloride
CID 119652992
1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66454727
2-ethyl-N-(4-ethylphenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 63495384
2-ethyl-N'-(4-fluorophenyl)-N',2-dimethylpropane-1,3-diamine
CID 62259232

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine (CID 62258743) is N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine is CCc1ccc(N(C)CC(C)(C)CN)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is XJVPDMVJOPTGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-5-12-6-8-13(9-7-12)16(4)11-14(2,3)10-15/h6-9H,5,10-11,15H2,1-4H3.
What are the key properties of N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine?
N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 62258743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).