3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine

C13H22N2 — CID 39241461

IUPAC3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine
SMILESCCN(CC)c1cc(N)ccc1C(C)C
InChIInChI=1S/C13H22N2/c1-5-15(6-2)13-9-11(14)7-8-12(13)10(3)4/h7-10H,5-6,14H2,1-4H3
InChIKeyIAYARLJHBIGYES-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.24
Rot. Bonds4

About 3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine

3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine (PubChem CID 39241461) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine
PubChem CID39241461
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine
SMILESCCN(CC)c1cc(N)ccc1C(C)C
InChIInChI=1S/C13H22N2/c1-5-15(6-2)13-9-11(14)7-8-12(13)10(3)4/h7-10H,5-6,14H2,1-4H3
InChIKeyIAYARLJHBIGYES-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminoethyl)-N,N-diethyl-2-propan-2-ylaniline;dihydrochloride
CID 70562248
3-[4-(5-amino-2-propan-2-ylphenyl)phenyl]-4-propan-2-ylaniline
CID 23166060
1-N,1-N-diethyl-2-fluorobenzene-1,4-diamine;ethane
CID 170720348
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylpropyl)benzene-1,4-diamine
CID 55229077
2-(difluoromethyl)-1-N-ethyl-1-N-(2-methylbutyl)benzene-1,4-diamine
CID 79478202
4-[2-(4-amino-2-propan-2-ylphenyl)ethyl]-3-propan-2-ylaniline
CID 22019812
4-[bis(4-aminophenyl)methyl]-N,N-diethylnaphthalen-1-amine
CID 162173574
5-bromo-N,N-diethyl-2-[1-(ethylamino)ethyl]aniline
CID 82971768
5-amino-2-propan-2-ylbenzonitrile
CID 118986729
4-fluoro-3-propan-2-ylaniline
CID 45090554
3-N-ethyl-3-N-propyl-4-(trifluoromethyl)benzene-1,3-diamine
CID 165477053
3-N-benzyl-3-N-ethyl-4-methylbenzene-1,3-diamine
CID 62589958

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine?
The IUPAC name of 3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine (CID 39241461) is 3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine.
What is the SMILES notation for 3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine?
The canonical SMILES for 3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine is CCN(CC)c1cc(N)ccc1C(C)C.
What is the InChIKey of 3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine?
The InChIKey is IAYARLJHBIGYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-15(6-2)13-9-11(14)7-8-12(13)10(3)4/h7-10H,5-6,14H2,1-4H3.
What are the key properties of 3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine?
3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-diethyl-4-propan-2-ylbenzene-1,3-diamine is sourced from PubChem (CID 39241461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).