2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide

C10H21N3 — CID 63864640

IUPAC2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(C)CC1CC1C
InChIInChI=1S/C10H21N3/c1-4-9(10(11)12)13(3)6-8-5-7(8)2/h7-9H,4-6H2,1-3H3,(H3,11,12)
InChIKeyURVOMJSNLJEBKR-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.29
Rot. Bonds5

About 2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide

2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide (PubChem CID 63864640) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide.

Molecular Properties

Compound Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide
PubChem CID63864640
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide
SMILES[H]/N=C(\N)C(CC)N(C)CC1CC1C
InChIInChI=1S/C10H21N3/c1-4-9(10(11)12)13(3)6-8-5-7(8)2/h7-9H,4-6H2,1-3H3,(H3,11,12)
InChIKeyURVOMJSNLJEBKR-UHFFFAOYSA-N
XLogP1.29
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
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 2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide?
The IUPAC name of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide (CID 63864640) is 2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide.
What is the SMILES notation for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide?
The canonical SMILES for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide is [H]/N=C(\N)C(CC)N(C)CC1CC1C.
What is the InChIKey of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide?
The InChIKey is URVOMJSNLJEBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c1-4-9(10(11)12)13(3)6-8-5-7(8)2/h7-9H,4-6H2,1-3H3,(H3,11,12).
What are the key properties of 2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide?
2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide has a molecular weight of 183.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(2-methylcyclopropyl)methyl]amino]butanimidamide is sourced from PubChem (CID 63864640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).