1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine

C25H43N3 — CID 118177631

IUPAC1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine
SMILESC=Cc1ccc(CN(C)C2C(N(C(C)C)C(C)C)C2N(C(C)C)C(C)C)cc1
InChIInChI=1S/C25H43N3/c1-11-21-12-14-22(15-13-21)16-26(10)23-24(27(17(2)3)18(4)5)25(23)28(19(6)7)20(8)9/h11-15,17-20,23-25H,1,16H2,2-10H3
InChIKeyFXNNFIXXQLUHSW-UHFFFAOYSA-N
MW385.64 g/mol
LogP5.12
Rot. Bonds10

About 1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine

1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine (PubChem CID 118177631) has the molecular formula C25H43N3 and a molecular weight of 385.64 g/mol. Its IUPAC name is 1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine.

Molecular Properties

Compound Name1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine
PubChem CID118177631
Molecular FormulaC25H43N3
Molecular Weight385.64 g/mol
Exact Mass385.35
IUPAC Name1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine
SMILESC=Cc1ccc(CN(C)C2C(N(C(C)C)C(C)C)C2N(C(C)C)C(C)C)cc1
InChIInChI=1S/C25H43N3/c1-11-21-12-14-22(15-13-21)16-26(10)23-24(27(17(2)3)18(4)5)25(23)28(19(6)7)20(8)9/h11-15,17-20,23-25H,1,16H2,2-10H3
InChIKeyFXNNFIXXQLUHSW-UHFFFAOYSA-N
XLogP5.12
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.64
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine?
The IUPAC name of 1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine (CID 118177631) is 1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine.
What is the SMILES notation for 1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine?
The canonical SMILES for 1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine is C=Cc1ccc(CN(C)C2C(N(C(C)C)C(C)C)C2N(C(C)C)C(C)C)cc1.
What is the InChIKey of 1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine?
The InChIKey is FXNNFIXXQLUHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H43N3/c1-11-21-12-14-22(15-13-21)16-26(10)23-24(27(17(2)3)18(4)5)25(23)28(19(6)7)20(8)9/h11-15,17-20,23-25H,1,16H2,2-10H3.
What are the key properties of 1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine?
1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine has a molecular weight of 385.64 g/mol, XLogP of 5.12, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(4-ethenylphenyl)methyl]-1-N-methyl-2-N,2-N,3-N,3-N-tetra(propan-2-yl)cyclopropane-1,2,3-triamine is sourced from PubChem (CID 118177631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).