5-methylidene-N-propan-2-ylpiperidin-2-amine

C9H18N2 — CID 91222372

IUPAC5-methylidene-N-propan-2-ylpiperidin-2-amine
SMILESC=C1CCC(NC(C)C)NC1
InChIInChI=1S/C9H18N2/c1-7(2)11-9-5-4-8(3)6-10-9/h7,9-11H,3-6H2,1-2H3
InChIKeyJRBSJISPPKBAQL-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.25
Rot. Bonds2

About 5-methylidene-N-propan-2-ylpiperidin-2-amine

5-methylidene-N-propan-2-ylpiperidin-2-amine (PubChem CID 91222372) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 5-methylidene-N-propan-2-ylpiperidin-2-amine.

Molecular Properties

Compound Name5-methylidene-N-propan-2-ylpiperidin-2-amine
PubChem CID91222372
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name5-methylidene-N-propan-2-ylpiperidin-2-amine
SMILESC=C1CCC(NC(C)C)NC1
InChIInChI=1S/C9H18N2/c1-7(2)11-9-5-4-8(3)6-10-9/h7,9-11H,3-6H2,1-2H3
InChIKeyJRBSJISPPKBAQL-UHFFFAOYSA-N
XLogP1.25
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylprop-2-enyl)piperazine
CID 54301433
N-methyl-4-methylidenepiperidin-2-amine
CID 59241992
3-methylidenepiperidine;N-methylmethanamine
CID 67855067
N-(3-methylbut-3-en-2-yl)piperidin-3-amine
CID 90708421
6-Methyl-5-methylidenepiperidin-2-amine
CID 90778224
N-methyl-5-methylidenepiperidin-2-amine
CID 90816630
N,6-dimethyl-3-methylidenepiperidin-2-amine
CID 90837651
5-methylidene-N-(2-methylpropyl)piperidin-2-amine
CID 90838657
N,N,4-trimethyl-5-methylidene-1,3-diazinan-2-amine
CID 91041133
4,6-Dimethyl-5-methylidene-1,3-diazinane
CID 91138135
2-Isocyano-5-methylidenepiperidine
CID 91149241
N-ethyl-5-methylidenepiperidin-2-amine
CID 91243312

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-N-propan-2-ylpiperidin-2-amine?
The IUPAC name of 5-methylidene-N-propan-2-ylpiperidin-2-amine (CID 91222372) is 5-methylidene-N-propan-2-ylpiperidin-2-amine.
What is the SMILES notation for 5-methylidene-N-propan-2-ylpiperidin-2-amine?
The canonical SMILES for 5-methylidene-N-propan-2-ylpiperidin-2-amine is C=C1CCC(NC(C)C)NC1.
What is the InChIKey of 5-methylidene-N-propan-2-ylpiperidin-2-amine?
The InChIKey is JRBSJISPPKBAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-9-5-4-8(3)6-10-9/h7,9-11H,3-6H2,1-2H3.
What are the key properties of 5-methylidene-N-propan-2-ylpiperidin-2-amine?
5-methylidene-N-propan-2-ylpiperidin-2-amine has a molecular weight of 154.26 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-N-propan-2-ylpiperidin-2-amine is sourced from PubChem (CID 91222372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).