N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide

C12H21N3 — CID 142925929

IUPACN-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide
SMILESC=N/C=N\C(=C)N1CCC(CCC)CC1
InChIInChI=1S/C12H21N3/c1-4-5-12-6-8-15(9-7-12)11(2)14-10-13-3/h10,12H,2-9H2,1H3/b14-10-
InChIKeyPHBODAKYHNRVND-UVTDQMKNSA-N
MW207.32 g/mol
LogP2.70
Rot. Bonds5

About N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide

N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide (PubChem CID 142925929) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide
PubChem CID142925929
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC NameN-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide
SMILESC=N/C=N\C(=C)N1CCC(CCC)CC1
InChIInChI=1S/C12H21N3/c1-4-5-12-6-8-15(9-7-12)11(2)14-10-13-3/h10,12H,2-9H2,1H3/b14-10-
InChIKeyPHBODAKYHNRVND-UVTDQMKNSA-N
XLogP2.70
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
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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Related Compounds

N'-hydroxy-4-propylpiperidine-1-carboximidamide
CID 62483528
2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 103720323
3-chloro-2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 63666746
2-amino-2-cyclopropyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 55050370
2-hydroxy-1-(4-propylpiperidin-1-yl)ethanone
CID 143775534
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
(1-aminocyclopropyl)-(4-propylpiperidin-1-yl)methanone
CID 65466440
ethane;1-(2-methylprop-2-enyl)-4-propylpiperidine
CID 166535515
2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide
CID 113270623
N'-cyclopentyl-4-propylpiperidine-1-carboximidamide
CID 55063728
2-bromo-2-methyl-1-(3-propylpyrrolidin-1-yl)propan-1-one
CID 114329107
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide?
The IUPAC name of N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide (CID 142925929) is N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide.
What is the SMILES notation for N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide?
The canonical SMILES for N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide is C=N/C=N\C(=C)N1CCC(CCC)CC1.
What is the InChIKey of N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide?
The InChIKey is PHBODAKYHNRVND-UVTDQMKNSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-5-12-6-8-15(9-7-12)11(2)14-10-13-3/h10,12H,2-9H2,1H3/b14-10-.
What are the key properties of N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide?
N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide has a molecular weight of 207.32 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[1-(4-propylpiperidin-1-yl)ethenyl]methanimidamide is sourced from PubChem (CID 142925929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).