1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine

C18H28N4 — CID 126824458

IUPAC1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine
SMILESCC(NCCCc1cnn(C)c1)C(c1ccccc1)N(C)C
InChIInChI=1S/C18H28N4/c1-15(18(21(2)3)17-10-6-5-7-11-17)19-12-8-9-16-13-20-22(4)14-16/h5-7,10-11,13-15,18-19H,8-9,12H2,1-4H3
InChIKeyRNMOQCSYWCCVCO-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.63
Rot. Bonds8

About 1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine

1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine (PubChem CID 126824458) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine
PubChem CID126824458
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine
SMILESCC(NCCCc1cnn(C)c1)C(c1ccccc1)N(C)C
InChIInChI=1S/C18H28N4/c1-15(18(21(2)3)17-10-6-5-7-11-17)19-12-8-9-16-13-20-22(4)14-16/h5-7,10-11,13-15,18-19H,8-9,12H2,1-4H3
InChIKeyRNMOQCSYWCCVCO-UHFFFAOYSA-N
XLogP2.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine (CID 126824458) is 1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine is CC(NCCCc1cnn(C)c1)C(c1ccccc1)N(C)C.
What is the InChIKey of 1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine?
The InChIKey is RNMOQCSYWCCVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-15(18(21(2)3)17-10-6-5-7-11-17)19-12-8-9-16-13-20-22(4)14-16/h5-7,10-11,13-15,18-19H,8-9,12H2,1-4H3.
What are the key properties of 1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine?
1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine has a molecular weight of 300.45 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-2-N-[3-(1-methylpyrazol-4-yl)propyl]-1-phenylpropane-1,2-diamine is sourced from PubChem (CID 126824458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).