3-[ethyl(propyl)amino]-2-methylpropanimidamide

C9H21N3 — CID 43268840

IUPAC3-[ethyl(propyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCC
InChIInChI=1S/C9H21N3/c1-4-6-12(5-2)7-8(3)9(10)11/h8H,4-7H2,1-3H3,(H3,10,11)
InChIKeyPQZAZSILRQXHGY-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.29
Rot. Bonds6

About 3-[ethyl(propyl)amino]-2-methylpropanimidamide

3-[ethyl(propyl)amino]-2-methylpropanimidamide (PubChem CID 43268840) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 3-[ethyl(propyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(propyl)amino]-2-methylpropanimidamide
PubChem CID43268840
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name3-[ethyl(propyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CCC
InChIInChI=1S/C9H21N3/c1-4-6-12(5-2)7-8(3)9(10)11/h8H,4-7H2,1-3H3,(H3,10,11)
InChIKeyPQZAZSILRQXHGY-UHFFFAOYSA-N
XLogP1.29
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.29
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-[ethyl(propyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(propyl)amino]-2-methylpropanimidamide (CID 43268840) is 3-[ethyl(propyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(propyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(propyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)CCC.
What is the InChIKey of 3-[ethyl(propyl)amino]-2-methylpropanimidamide?
The InChIKey is PQZAZSILRQXHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-4-6-12(5-2)7-8(3)9(10)11/h8H,4-7H2,1-3H3,(H3,10,11).
What are the key properties of 3-[ethyl(propyl)amino]-2-methylpropanimidamide?
3-[ethyl(propyl)amino]-2-methylpropanimidamide has a molecular weight of 171.29 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 43268840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).