2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine

C11H22N4 — CID 56629729

IUPAC2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine
SMILES[H]/N=C1\C(C)CC(N)/C(=N/CCCC)N1C
InChIInChI=1S/C11H22N4/c1-4-5-6-14-11-9(12)7-8(2)10(13)15(11)3/h8-9,13H,4-7,12H2,1-3H3/b13-10+,14-11-
InChIKeyTXLPDJQMVMDAGM-MBGGJNPXSA-N
MW210.32 g/mol
LogP1.46
Rot. Bonds3

About 2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine

2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine (PubChem CID 56629729) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine
PubChem CID56629729
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine
SMILES[H]/N=C1\C(C)CC(N)/C(=N/CCCC)N1C
InChIInChI=1S/C11H22N4/c1-4-5-6-14-11-9(12)7-8(2)10(13)15(11)3/h8-9,13H,4-7,12H2,1-3H3/b13-10+,14-11-
InChIKeyTXLPDJQMVMDAGM-MBGGJNPXSA-N
XLogP1.46
TPSA65.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine?
The IUPAC name of 2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine (CID 56629729) is 2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine.
What is the SMILES notation for 2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine?
The canonical SMILES for 2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine is [H]/N=C1\C(C)CC(N)/C(=N/CCCC)N1C.
What is the InChIKey of 2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine?
The InChIKey is TXLPDJQMVMDAGM-MBGGJNPXSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-5-6-14-11-9(12)7-8(2)10(13)15(11)3/h8-9,13H,4-7,12H2,1-3H3/b13-10+,14-11-.
What are the key properties of 2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine?
2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine has a molecular weight of 210.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylimino-6-imino-1,5-dimethylpiperidin-3-amine is sourced from PubChem (CID 56629729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).