3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine

C13H23N3 — CID 103187647

IUPAC3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine
SMILESCCN(c1cccc(N)c1)C(C)CN(C)C
InChIInChI=1S/C13H23N3/c1-5-16(11(2)10-15(3)4)13-8-6-7-12(14)9-13/h6-9,11H,5,10,14H2,1-4H3
InChIKeyAZSKSLGWXDTJGP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.05
Rot. Bonds5

About 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine

3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine (PubChem CID 103187647) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine
PubChem CID103187647
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine
SMILESCCN(c1cccc(N)c1)C(C)CN(C)C
InChIInChI=1S/C13H23N3/c1-5-16(11(2)10-15(3)4)13-8-6-7-12(14)9-13/h6-9,11H,5,10,14H2,1-4H3
InChIKeyAZSKSLGWXDTJGP-UHFFFAOYSA-N
XLogP2.05
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-butan-2-yl-3-N-ethylbenzene-1,3-diamine
CID 43274249
3-N-butan-2-yl-3-N-methylbenzene-1,3-diamine
CID 43272599
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethyl-2-propan-2-yloxybenzene-1,4-diamine
CID 103187566
3-N-ethyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 63230057
1-[2-amino-5-[1-(dimethylamino)propan-2-yl-ethylamino]phenyl]ethanone
CID 103187601
2-N-[4-(bromomethyl)-3-chlorophenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 114064478
4-[1-(dimethylamino)propan-2-yl-ethylamino]benzaldehyde
CID 103189615
2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103189419
3-N-ethyl-3-N-propylbenzene-1,3-diamine
CID 43268426
3-N-(4-chlorophenyl)-3-N-ethylbenzene-1,3-diamine
CID 23385975
3-N-[4-(3-amino-N-methylanilino)phenyl]-3-N-methylbenzene-1,3-diamine
CID 70215054

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine?
The IUPAC name of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine (CID 103187647) is 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine is CCN(c1cccc(N)c1)C(C)CN(C)C.
What is the InChIKey of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine?
The InChIKey is AZSKSLGWXDTJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-5-16(11(2)10-15(3)4)13-8-6-7-12(14)9-13/h6-9,11H,5,10,14H2,1-4H3.
What are the key properties of 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine?
3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(dimethylamino)propan-2-yl]-3-N-ethylbenzene-1,3-diamine is sourced from PubChem (CID 103187647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).