3-[cyclopropylmethyl(methyl)amino]propanimidamide

C8H17N3 — CID 43560428

IUPAC3-[cyclopropylmethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC1CC1
InChIInChI=1S/C8H17N3/c1-11(5-4-8(9)10)6-7-2-3-7/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyCTLMGXYTRSBYSY-UHFFFAOYSA-N
MW155.25 g/mol
LogP0.65
Rot. Bonds5

About 3-[cyclopropylmethyl(methyl)amino]propanimidamide

3-[cyclopropylmethyl(methyl)amino]propanimidamide (PubChem CID 43560428) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(methyl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropylmethyl(methyl)amino]propanimidamide
PubChem CID43560428
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name3-[cyclopropylmethyl(methyl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(C)CC1CC1
InChIInChI=1S/C8H17N3/c1-11(5-4-8(9)10)6-7-2-3-7/h7H,2-6H2,1H3,(H3,9,10)
InChIKeyCTLMGXYTRSBYSY-UHFFFAOYSA-N
XLogP0.65
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 50.65
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 3-[cyclopropylmethyl(methyl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropylmethyl(methyl)amino]propanimidamide (CID 43560428) is 3-[cyclopropylmethyl(methyl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropylmethyl(methyl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropylmethyl(methyl)amino]propanimidamide is [H]/N=C(\N)CCN(C)CC1CC1.
What is the InChIKey of 3-[cyclopropylmethyl(methyl)amino]propanimidamide?
The InChIKey is CTLMGXYTRSBYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-11(5-4-8(9)10)6-7-2-3-7/h7H,2-6H2,1H3,(H3,9,10).
What are the key properties of 3-[cyclopropylmethyl(methyl)amino]propanimidamide?
3-[cyclopropylmethyl(methyl)amino]propanimidamide has a molecular weight of 155.25 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(methyl)amino]propanimidamide is sourced from PubChem (CID 43560428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).