1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine

C11H23N3 — CID 135274366

IUPAC1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine
SMILESC=C(N)N(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3/c1-9(2)14-7-5-11(6-8-14)13(4)10(3)12/h9,11H,3,5-8,12H2,1-2,4H3
InChIKeyPLEPZMGDUJZSHZ-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.22
Rot. Bonds3

About 1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine

1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine (PubChem CID 135274366) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine
PubChem CID135274366
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine
SMILESC=C(N)N(C)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H23N3/c1-9(2)14-7-5-11(6-8-14)13(4)10(3)12/h9,11H,3,5-8,12H2,1-2,4H3
InChIKeyPLEPZMGDUJZSHZ-UHFFFAOYSA-N
XLogP1.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine?
The IUPAC name of 1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine (CID 135274366) is 1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine is C=C(N)N(C)C1CCN(C(C)C)CC1.
What is the InChIKey of 1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine?
The InChIKey is PLEPZMGDUJZSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(2)14-7-5-11(6-8-14)13(4)10(3)12/h9,11H,3,5-8,12H2,1-2,4H3.
What are the key properties of 1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine?
1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine has a molecular weight of 197.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine is sourced from PubChem (CID 135274366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).