4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine

C11H23N3 — CID 134389572

IUPAC4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine
SMILESC=C(C)CCNC1(NC)CCNCC1
InChIInChI=1S/C11H23N3/c1-10(2)4-7-14-11(12-3)5-8-13-9-6-11/h12-14H,1,4-9H2,2-3H3
InChIKeyQQSSIOUFJAIJKB-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.84
Rot. Bonds5

About 4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine

4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine (PubChem CID 134389572) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine
PubChem CID134389572
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine
SMILESC=C(C)CCNC1(NC)CCNCC1
InChIInChI=1S/C11H23N3/c1-10(2)4-7-14-11(12-3)5-8-13-9-6-11/h12-14H,1,4-9H2,2-3H3
InChIKeyQQSSIOUFJAIJKB-UHFFFAOYSA-N
XLogP0.84
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine?
The IUPAC name of 4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine (CID 134389572) is 4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine?
The canonical SMILES for 4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine is C=C(C)CCNC1(NC)CCNCC1.
What is the InChIKey of 4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine?
The InChIKey is QQSSIOUFJAIJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-10(2)4-7-14-11(12-3)5-8-13-9-6-11/h12-14H,1,4-9H2,2-3H3.
What are the key properties of 4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine?
4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine has a molecular weight of 197.33 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N'-(3-methylbut-3-enyl)piperidine-4,4-diamine is sourced from PubChem (CID 134389572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).