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

C10H23N3 — CID 43273784

IUPAC3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CC(C)C
InChIInChI=1S/C10H23N3/c1-5-13(6-8(2)3)7-9(4)10(11)12/h8-9H,5-7H2,1-4H3,(H3,11,12)
InChIKeyQZOCBCYJKKEDDH-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.54
Rot. Bonds6

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

3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide (PubChem CID 43273784) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide
PubChem CID43273784
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)CC(C)C
InChIInChI=1S/C10H23N3/c1-5-13(6-8(2)3)7-9(4)10(11)12/h8-9H,5-7H2,1-4H3,(H3,11,12)
InChIKeyQZOCBCYJKKEDDH-UHFFFAOYSA-N
XLogP1.54
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.54
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(2-methylpropyl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide (CID 43273784) is 3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)CC(C)C.
What is the InChIKey of 3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide?
The InChIKey is QZOCBCYJKKEDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-5-13(6-8(2)3)7-9(4)10(11)12/h8-9H,5-7H2,1-4H3,(H3,11,12).
What are the key properties of 3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide?
3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide has a molecular weight of 185.31 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methylpropyl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 43273784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).