2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide

C12H25N3O — CID 65493351

IUPAC2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CCO)CCCC)CC1
InChIInChI=1S/C12H25N3O/c1-2-3-6-15(7-8-16)10-12(4-5-12)9-11(13)14/h16H,2-10H2,1H3,(H3,13,14)
InChIKeyCIASPCKHWMQBAK-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.19
Rot. Bonds9

About 2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide

2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 65493351) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID65493351
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CCO)CCCC)CC1
InChIInChI=1S/C12H25N3O/c1-2-3-6-15(7-8-16)10-12(4-5-12)9-11(13)14/h16H,2-10H2,1H3,(H3,13,14)
InChIKeyCIASPCKHWMQBAK-UHFFFAOYSA-N
XLogP1.19
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide (CID 65493351) is 2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(CCO)CCCC)CC1.
What is the InChIKey of 2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is CIASPCKHWMQBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-2-3-6-15(7-8-16)10-12(4-5-12)9-11(13)14/h16H,2-10H2,1H3,(H3,13,14).
What are the key properties of 2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[butyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 65493351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).