1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine

C21H43N3 — CID 71092221

IUPAC1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine
SMILESCCCN(CCC)C1=C(N(CCC)CCC)C1N(CCC)CCC
InChIInChI=1S/C21H43N3/c1-7-13-22(14-8-2)19-20(23(15-9-3)16-10-4)21(19)24(17-11-5)18-12-6/h19H,7-18H2,1-6H3
InChIKeyCMHMCPYISKUBBO-UHFFFAOYSA-N
MW337.60 g/mol
LogP4.95
Rot. Bonds15

About 1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine

1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine (PubChem CID 71092221) has the molecular formula C21H43N3 and a molecular weight of 337.60 g/mol. Its IUPAC name is 1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine.

Molecular Properties

Compound Name1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine
PubChem CID71092221
Molecular FormulaC21H43N3
Molecular Weight337.60 g/mol
Exact Mass337.35
IUPAC Name1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine
SMILESCCCN(CCC)C1=C(N(CCC)CCC)C1N(CCC)CCC
InChIInChI=1S/C21H43N3/c1-7-13-22(14-8-2)19-20(23(15-9-3)16-10-4)21(19)24(17-11-5)18-12-6/h19H,7-18H2,1-6H3
InChIKeyCMHMCPYISKUBBO-UHFFFAOYSA-N
XLogP4.95
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine?
The IUPAC name of 1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine (CID 71092221) is 1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine.
What is the SMILES notation for 1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine?
The canonical SMILES for 1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine is CCCN(CCC)C1=C(N(CCC)CCC)C1N(CCC)CCC.
What is the InChIKey of 1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine?
The InChIKey is CMHMCPYISKUBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43N3/c1-7-13-22(14-8-2)19-20(23(15-9-3)16-10-4)21(19)24(17-11-5)18-12-6/h19H,7-18H2,1-6H3.
What are the key properties of 1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine?
1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine has a molecular weight of 337.60 g/mol, XLogP of 4.95, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-N,2-N,3-N,3-N-hexapropylcyclopropene-1,2,3-triamine is sourced from PubChem (CID 71092221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).