3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine

C7H23N7 — CID 141114653

IUPAC3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine
SMILESCN(CCC(N)(N)N)CCC(N)(N)N
InChIInChI=1S/C7H23N7/c1-14(4-2-6(8,9)10)5-3-7(11,12)13/h2-5,8-13H2,1H3
InChIKeySNWBQHCAYRGFHX-UHFFFAOYSA-N
MW205.31 g/mol
LogP-3.24
Rot. Bonds6

About 3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine

3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine (PubChem CID 141114653) has the molecular formula C7H23N7 and a molecular weight of 205.31 g/mol. Its IUPAC name is 3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine.

Molecular Properties

Compound Name3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine
PubChem CID141114653
Molecular FormulaC7H23N7
Molecular Weight205.31 g/mol
Exact Mass205.20
IUPAC Name3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine
SMILESCN(CCC(N)(N)N)CCC(N)(N)N
InChIInChI=1S/C7H23N7/c1-14(4-2-6(8,9)10)5-3-7(11,12)13/h2-5,8-13H2,1H3
InChIKeySNWBQHCAYRGFHX-UHFFFAOYSA-N
XLogP-3.24
TPSA159.36 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500205.31
LogP ≤ 5-3.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine?
The IUPAC name of 3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine (CID 141114653) is 3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine.
What is the SMILES notation for 3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine?
The canonical SMILES for 3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine is CN(CCC(N)(N)N)CCC(N)(N)N.
What is the InChIKey of 3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine?
The InChIKey is SNWBQHCAYRGFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H23N7/c1-14(4-2-6(8,9)10)5-3-7(11,12)13/h2-5,8-13H2,1H3.
What are the key properties of 3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine?
3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine has a molecular weight of 205.31 g/mol, XLogP of -3.24, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(3,3,3-triaminopropyl)propane-1,1,1,3-tetramine is sourced from PubChem (CID 141114653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).