4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide

C10H22N4 — CID 18722068

IUPAC4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C10H22N4/c1-8(2)13-7-9-3-5-14(6-4-9)10(11)12/h8-9,13H,3-7H2,1-2H3,(H3,11,12)
InChIKeyURCOWHKDFVHXLY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.59
Rot. Bonds3

About 4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide

4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide (PubChem CID 18722068) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide
PubChem CID18722068
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(CNC(C)C)CC1
InChIInChI=1S/C10H22N4/c1-8(2)13-7-9-3-5-14(6-4-9)10(11)12/h8-9,13H,3-7H2,1-2H3,(H3,11,12)
InChIKeyURCOWHKDFVHXLY-UHFFFAOYSA-N
XLogP0.59
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.59
H-Bond Donors ≤ 53
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 4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide (CID 18722068) is 4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(CNC(C)C)CC1.
What is the InChIKey of 4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide?
The InChIKey is URCOWHKDFVHXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-8(2)13-7-9-3-5-14(6-4-9)10(11)12/h8-9,13H,3-7H2,1-2H3,(H3,11,12).
What are the key properties of 4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide?
4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide has a molecular weight of 198.31 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(propan-2-ylamino)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 18722068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).