2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide

C11H23N3 — CID 65494169

IUPAC2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CC)C(C)C)CC1
InChIInChI=1S/C11H23N3/c1-4-14(9(2)3)8-11(5-6-11)7-10(12)13/h9H,4-8H2,1-3H3,(H3,12,13)
InChIKeyZFTSSXLRYYPWMH-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.82
Rot. Bonds6

About 2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide

2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 65494169) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID65494169
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CC)C(C)C)CC1
InChIInChI=1S/C11H23N3/c1-4-14(9(2)3)8-11(5-6-11)7-10(12)13/h9H,4-8H2,1-3H3,(H3,12,13)
InChIKeyZFTSSXLRYYPWMH-UHFFFAOYSA-N
XLogP1.82
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.82
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-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide (CID 65494169) is 2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(CC)C(C)C)CC1.
What is the InChIKey of 2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is ZFTSSXLRYYPWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-14(9(2)3)8-11(5-6-11)7-10(12)13/h9H,4-8H2,1-3H3,(H3,12,13).
What are the key properties of 2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 197.33 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[ethyl(propan-2-yl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65494169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).