4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride

C12H22Cl2N2 — CID 3043605

IUPAC4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride
SMILESCc1cc(N(C)C)ccc1CC(C)N.Cl.Cl
InChIInChI=1S/C12H20N2.2ClH/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13;;/h5-7,10H,8,13H2,1-4H3;2*1H
InChIKeyVNIAJBAJBCCYOT-UHFFFAOYSA-N
MW265.23 g/mol
LogP2.79
Rot. Bonds3

About 4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride

4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride (PubChem CID 3043605) has the molecular formula C12H22Cl2N2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride.

Molecular Properties

Compound Name4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride
PubChem CID3043605
Molecular FormulaC12H22Cl2N2
Molecular Weight265.23 g/mol
Exact Mass264.12
IUPAC Name4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride
SMILESCc1cc(N(C)C)ccc1CC(C)N.Cl.Cl
InChIInChI=1S/C12H20N2.2ClH/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13;;/h5-7,10H,8,13H2,1-4H3;2*1H
InChIKeyVNIAJBAJBCCYOT-UHFFFAOYSA-N
XLogP2.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride?
The IUPAC name of 4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride (CID 3043605) is 4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride.
What is the SMILES notation for 4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride?
The canonical SMILES for 4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride is Cc1cc(N(C)C)ccc1CC(C)N.Cl.Cl.
What is the InChIKey of 4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride?
The InChIKey is VNIAJBAJBCCYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.2ClH/c1-9-7-12(14(3)4)6-5-11(9)8-10(2)13;;/h5-7,10H,8,13H2,1-4H3;2*1H.
What are the key properties of 4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride?
4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride has a molecular weight of 265.23 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-N,N,3-trimethylaniline;dihydrochloride is sourced from PubChem (CID 3043605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).