2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C13H23N3O — CID 77070568

IUPAC2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CN(CC2CC2)C2CC2)CC1)=NO
InChIInChI=1S/C13H23N3O/c14-12(15-17)7-13(5-6-13)9-16(11-3-4-11)8-10-1-2-10/h10-11,17H,1-9H2,(H2,14,15)
InChIKeyRWGKTQSRXRUGAP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.78
Rot. Bonds7

About 2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77070568) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77070568
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESNC(CC1(CN(CC2CC2)C2CC2)CC1)=NO
InChIInChI=1S/C13H23N3O/c14-12(15-17)7-13(5-6-13)9-16(11-3-4-11)8-10-1-2-10/h10-11,17H,1-9H2,(H2,14,15)
InChIKeyRWGKTQSRXRUGAP-UHFFFAOYSA-N
XLogP1.78
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

2-[cyclopentyl(cyclopentylmethyl)amino]-N'-hydroxyethanimidamide
CID 77044633
2-[1-[(dimethylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071343
3-[cyclobutylmethyl(cyclopropyl)amino]-N'-hydroxypropanimidamide
CID 77067845
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-hydroxyiminopropanamide
CID 77046090
2-[1-[[butan-2-yl(methyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071512
2-[1-(cyclopentylmethoxymethyl)cyclopropyl]-N'-hydroxyethanimidamide
CID 77124832
N'-hydroxy-2-[1-[[(4-methylcyclohexyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071817
2-[cyclopentyl-[2-(dimethylamino)ethyl]amino]-N'-hydroxyethanimidamide
CID 77037907
2-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxyethanimidamide
CID 76912585
2-[1-[[ethyl(2-ethylbutyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071785
2-[1-[[ethyl(3-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104861779
N-(cyclopropylmethyl)-N-[(3-propylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 64520378

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77070568) is 2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is NC(CC1(CN(CC2CC2)C2CC2)CC1)=NO.
What is the InChIKey of 2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is RWGKTQSRXRUGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c14-12(15-17)7-13(5-6-13)9-16(11-3-4-11)8-10-1-2-10/h10-11,17H,1-9H2,(H2,14,15).
What are the key properties of 2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 237.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77070568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).