3-N-ethyl-3-N-propylbenzene-1,3-diamine

C11H18N2 — CID 43268426

IUPAC3-N-ethyl-3-N-propylbenzene-1,3-diamine
SMILESCCCN(CC)c1cccc(N)c1
InChIInChI=1S/C11H18N2/c1-3-8-13(4-2)11-7-5-6-10(12)9-11/h5-7,9H,3-4,8,12H2,1-2H3
InChIKeyKFRVANRNMYPZDR-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.51
Rot. Bonds4

About 3-N-ethyl-3-N-propylbenzene-1,3-diamine

3-N-ethyl-3-N-propylbenzene-1,3-diamine (PubChem CID 43268426) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-N-ethyl-3-N-propylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-propylbenzene-1,3-diamine
PubChem CID43268426
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-N-ethyl-3-N-propylbenzene-1,3-diamine
SMILESCCCN(CC)c1cccc(N)c1
InChIInChI=1S/C11H18N2/c1-3-8-13(4-2)11-7-5-6-10(12)9-11/h5-7,9H,3-4,8,12H2,1-2H3
InChIKeyKFRVANRNMYPZDR-UHFFFAOYSA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.51
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

3-N-ethyl-3-N-(3-methylbutyl)benzene-1,3-diamine
CID 63230057
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-diamine
CID 61444424
3-(3-amino-N-ethylanilino)propan-1-ol
CID 63229758
3-N-ethyl-3-N-[2-(trifluoromethylsulfanyl)ethyl]benzene-1,3-diamine
CID 116616304
3-N-[(4-fluorophenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 55175554
3-N-propyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 63230380
3-N-ethyl-3-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine
CID 107912737
3-N-(3-methylsulfonylpropyl)-3-N-propylbenzene-1,3-diamine
CID 55175556
3-N-[(3-methylphenyl)methyl]-3-N-propylbenzene-1,3-diamine
CID 63230562
3-(3-amino-N-propylanilino)propane-1,2-diol
CID 82850677
3-bromo-N-ethyl-N-propylaniline
CID 58544975
3-N-ethyl-3-N-(2-methylbutyl)benzene-1,3-diamine
CID 63229637

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-propylbenzene-1,3-diamine?
The IUPAC name of 3-N-ethyl-3-N-propylbenzene-1,3-diamine (CID 43268426) is 3-N-ethyl-3-N-propylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-propylbenzene-1,3-diamine?
The canonical SMILES for 3-N-ethyl-3-N-propylbenzene-1,3-diamine is CCCN(CC)c1cccc(N)c1.
What is the InChIKey of 3-N-ethyl-3-N-propylbenzene-1,3-diamine?
The InChIKey is KFRVANRNMYPZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-3-8-13(4-2)11-7-5-6-10(12)9-11/h5-7,9H,3-4,8,12H2,1-2H3.
What are the key properties of 3-N-ethyl-3-N-propylbenzene-1,3-diamine?
3-N-ethyl-3-N-propylbenzene-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-propylbenzene-1,3-diamine is sourced from PubChem (CID 43268426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).