1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine

C9H20N4 — CID 166880635

IUPAC1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine
SMILESC/N=C(\N)N[C@H]1CC[C@H](C)N(C)C1
InChIInChI=1S/C9H20N4/c1-7-4-5-8(6-13(7)3)12-9(10)11-2/h7-8H,4-6H2,1-3H3,(H3,10,11,12)/t7-,8-/m0/s1
InChIKeyVIHVVGMKIVEUGQ-YUMQZZPRSA-N
MW184.29 g/mol
LogP0.00
Rot. Bonds1

About 1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine

1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine (PubChem CID 166880635) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine
PubChem CID166880635
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine
SMILESC/N=C(\N)N[C@H]1CC[C@H](C)N(C)C1
InChIInChI=1S/C9H20N4/c1-7-4-5-8(6-13(7)3)12-9(10)11-2/h7-8H,4-6H2,1-3H3,(H3,10,11,12)/t7-,8-/m0/s1
InChIKeyVIHVVGMKIVEUGQ-YUMQZZPRSA-N
XLogP0.00
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine?
The IUPAC name of 1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine (CID 166880635) is 1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine.
What is the SMILES notation for 1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine?
The canonical SMILES for 1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine is C/N=C(\N)N[C@H]1CC[C@H](C)N(C)C1.
What is the InChIKey of 1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine?
The InChIKey is VIHVVGMKIVEUGQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H20N4/c1-7-4-5-8(6-13(7)3)12-9(10)11-2/h7-8H,4-6H2,1-3H3,(H3,10,11,12)/t7-,8-/m0/s1.
What are the key properties of 1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine?
1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine has a molecular weight of 184.29 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,6S)-1,6-dimethylpiperidin-3-yl]-2-methylguanidine is sourced from PubChem (CID 166880635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).