1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine

C24H43N3 — CID 163448420

IUPAC1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine
SMILESCN(C1=C(N(C)C2CCCCC2)C1N(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H43N3/c1-25(19-13-7-4-8-14-19)22-23(26(2)20-15-9-5-10-16-20)24(22)27(3)21-17-11-6-12-18-21/h19-22H,4-18H2,1-3H3
InChIKeyBEMMSTJVDCBDET-UHFFFAOYSA-N
MW373.63 g/mol
LogP5.37
Rot. Bonds6

About 1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine

1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine (PubChem CID 163448420) has the molecular formula C24H43N3 and a molecular weight of 373.63 g/mol. Its IUPAC name is 1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine.

Molecular Properties

Compound Name1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine
PubChem CID163448420
Molecular FormulaC24H43N3
Molecular Weight373.63 g/mol
Exact Mass373.35
IUPAC Name1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine
SMILESCN(C1=C(N(C)C2CCCCC2)C1N(C)C1CCCCC1)C1CCCCC1
InChIInChI=1S/C24H43N3/c1-25(19-13-7-4-8-14-19)22-23(26(2)20-15-9-5-10-16-20)24(22)27(3)21-17-11-6-12-18-21/h19-22H,4-18H2,1-3H3
InChIKeyBEMMSTJVDCBDET-UHFFFAOYSA-N
XLogP5.37
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine?
The IUPAC name of 1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine (CID 163448420) is 1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine.
What is the SMILES notation for 1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine?
The canonical SMILES for 1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine is CN(C1=C(N(C)C2CCCCC2)C1N(C)C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine?
The InChIKey is BEMMSTJVDCBDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3/c1-25(19-13-7-4-8-14-19)22-23(26(2)20-15-9-5-10-16-20)24(22)27(3)21-17-11-6-12-18-21/h19-22H,4-18H2,1-3H3.
What are the key properties of 1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine?
1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine has a molecular weight of 373.63 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3-N-tricyclohexyl-1-N,2-N,3-N-trimethylcyclopropene-1,2,3-triamine is sourced from PubChem (CID 163448420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).