1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine

C9H23N3 — CID 18432017

IUPAC1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine
SMILESCCC(NC)N(C)CCCNC
InChIInChI=1S/C9H23N3/c1-5-9(11-3)12(4)8-6-7-10-2/h9-11H,5-8H2,1-4H3
InChIKeyLUKCSWXVDPOVMR-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.48
Rot. Bonds7

About 1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine

1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine (PubChem CID 18432017) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine
PubChem CID18432017
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine
SMILESCCC(NC)N(C)CCCNC
InChIInChI=1S/C9H23N3/c1-5-9(11-3)12(4)8-6-7-10-2/h9-11H,5-8H2,1-4H3
InChIKeyLUKCSWXVDPOVMR-UHFFFAOYSA-N
XLogP0.48
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine (CID 18432017) is 1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine is CCC(NC)N(C)CCCNC.
What is the InChIKey of 1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine?
The InChIKey is LUKCSWXVDPOVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-5-9(11-3)12(4)8-6-7-10-2/h9-11H,5-8H2,1-4H3.
What are the key properties of 1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine?
1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine has a molecular weight of 173.30 g/mol, XLogP of 0.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethyl-1-N'-[3-(methylamino)propyl]propane-1,1-diamine is sourced from PubChem (CID 18432017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).