2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane

C22H45N3 — CID 143643581

IUPAC2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane
SMILESC=C(C)NC(CC(=C)N1CCCC1C(=C)N)CC(C)C.CC.CCC
InChIInChI=1S/C17H31N3.C3H8.C2H6/c1-12(2)10-16(19-13(3)4)11-14(5)20-9-7-8-17(20)15(6)18;1-3-2;1-2/h12,16-17,19H,3,5-11,18H2,1-2,4H3;3H2,1-2H3;1-2H3
InChIKeyDJCXSUYSSGIJGZ-UHFFFAOYSA-N
MW351.62 g/mol
LogP5.81
Rot. Bonds8

About 2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane

2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane (PubChem CID 143643581) has the molecular formula C22H45N3 and a molecular weight of 351.62 g/mol. Its IUPAC name is 2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane.

Molecular Properties

Compound Name2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane
PubChem CID143643581
Molecular FormulaC22H45N3
Molecular Weight351.62 g/mol
Exact Mass351.36
IUPAC Name2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane
SMILESC=C(C)NC(CC(=C)N1CCCC1C(=C)N)CC(C)C.CC.CCC
InChIInChI=1S/C17H31N3.C3H8.C2H6/c1-12(2)10-16(19-13(3)4)11-14(5)20-9-7-8-17(20)15(6)18;1-3-2;1-2/h12,16-17,19H,3,5-11,18H2,1-2,4H3;3H2,1-2H3;1-2H3
InChIKeyDJCXSUYSSGIJGZ-UHFFFAOYSA-N
XLogP5.81
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane?
The IUPAC name of 2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane (CID 143643581) is 2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane.
What is the SMILES notation for 2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane?
The canonical SMILES for 2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane is C=C(C)NC(CC(=C)N1CCCC1C(=C)N)CC(C)C.CC.CCC.
What is the InChIKey of 2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane?
The InChIKey is DJCXSUYSSGIJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3.C3H8.C2H6/c1-12(2)10-16(19-13(3)4)11-14(5)20-9-7-8-17(20)15(6)18;1-3-2;1-2/h12,16-17,19H,3,5-11,18H2,1-2,4H3;3H2,1-2H3;1-2H3.
What are the key properties of 2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane?
2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane has a molecular weight of 351.62 g/mol, XLogP of 5.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethenyl)pyrrolidin-1-yl]-6-methyl-N-prop-1-en-2-ylhept-1-en-4-amine;ethane;propane is sourced from PubChem (CID 143643581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).