2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

C13H27N5O — CID 77071018

IUPAC2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCN1CCN(C)C(CNCC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C13H27N5O/c1-17-5-6-18(2)11(9-17)8-15-10-13(3-4-13)7-12(14)16-19/h11,15,19H,3-10H2,1-2H3,(H2,14,16)
InChIKeyPECBWWVSHZSCSZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.26
Rot. Bonds6

About 2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide

2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (PubChem CID 77071018) has the molecular formula C13H27N5O and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
PubChem CID77071018
Molecular FormulaC13H27N5O
Molecular Weight269.39 g/mol
Exact Mass269.22
IUPAC Name2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
SMILESCN1CCN(C)C(CNCC2(CC(N)=NO)CC2)C1
InChIInChI=1S/C13H27N5O/c1-17-5-6-18(2)11(9-17)8-15-10-13(3-4-13)7-12(14)16-19/h11,15,19H,3-10H2,1-2H3,(H2,14,16)
InChIKeyPECBWWVSHZSCSZ-UHFFFAOYSA-N
XLogP-0.26
TPSA77.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N'-hydroxy-2-[1-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 104931979
3-[(1,4-dimethylpiperazin-2-yl)methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 77029960
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 77011298
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
N'-hydroxy-2-[1-[(prop-2-ynylamino)methyl]cyclopropyl]ethanimidamide
CID 77071719
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-[(1-ethylcyclopropyl)methyl]urea
CID 71976500
N'-hydroxy-2-[1-[[(2-hydroxy-2-methylpropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 77071320
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
4-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]benzamide
CID 63898951
2-[1-[(2,3-dimethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77070622
N'-tert-butyl-2-(1,4-dimethylpiperazin-2-yl)ethanimidamide
CID 115415891
2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide (CID 77071018) is 2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is CN1CCN(C)C(CNCC2(CC(N)=NO)CC2)C1.
What is the InChIKey of 2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
The InChIKey is PECBWWVSHZSCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O/c1-17-5-6-18(2)11(9-17)8-15-10-13(3-4-13)7-12(14)16-19/h11,15,19H,3-10H2,1-2H3,(H2,14,16).
What are the key properties of 2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide?
2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide has a molecular weight of 269.39 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77071018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).