3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide

C12H24N4O2 — CID 113410658

IUPAC3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H24N4O2/c1-9(2)15-11(17)3-6-14-8-12(4-5-12)7-10(13)16-18/h9,14,18H,3-8H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyWFNXYECYCGJTBV-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.41
Rot. Bonds8

About 3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide

3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide (PubChem CID 113410658) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
PubChem CID113410658
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C12H24N4O2/c1-9(2)15-11(17)3-6-14-8-12(4-5-12)7-10(13)16-18/h9,14,18H,3-8H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyWFNXYECYCGJTBV-UHFFFAOYSA-N
XLogP0.41
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methylcyclopropyl)methylamino]-N-propan-2-ylpropanamide
CID 107165890
3-[(1-hydroxycyclopentyl)methylamino]-N-propan-2-ylpropanamide
CID 65111913
2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070622
N'-hydroxy-2-[1-[(2-methylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 77071012
N'-hydroxy-2-[1-[(2,2,3-trimethylbutylamino)methyl]cyclopropyl]ethanimidamide
CID 114100375
2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038
N'-hydroxy-2-[1-[(prop-2-ynylamino)methyl]cyclopropyl]ethanimidamide
CID 77071719
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071440
N'-hydroxy-2-[1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071263
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
N'-hydroxy-2-[1-[(6-hydroxyhexylamino)methyl]cyclopropyl]ethanimidamide
CID 114009285
N'-hydroxy-2-[1-[[(1-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77070818

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide (CID 113410658) is 3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCNCC1(CC(N)=NO)CC1.
What is the InChIKey of 3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide?
The InChIKey is WFNXYECYCGJTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-9(2)15-11(17)3-6-14-8-12(4-5-12)7-10(13)16-18/h9,14,18H,3-8H2,1-2H3,(H2,13,16)(H,15,17).
What are the key properties of 3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide?
3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide has a molecular weight of 256.35 g/mol, XLogP of 0.41, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-amino-2-hydroxyiminoethyl)cyclopropyl]methylamino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113410658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).