1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine

C10H18N4 — CID 145081293

IUPAC1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine
SMILES[H]/N=C/C=C\C(=N/[H])N1CCC(NC)CC1
InChIInChI=1S/C10H18N4/c1-13-9-4-7-14(8-5-9)10(12)3-2-6-11/h2-3,6,9,11-13H,4-5,7-8H2,1H3/b3-2-,11-6+,12-10+
InChIKeyCMEYGSMHLWHUQL-UYQYLYHFSA-N
MW194.28 g/mol
LogP0.85
Rot. Bonds3

About 1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine

1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine (PubChem CID 145081293) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine
PubChem CID145081293
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine
SMILES[H]/N=C/C=C\C(=N/[H])N1CCC(NC)CC1
InChIInChI=1S/C10H18N4/c1-13-9-4-7-14(8-5-9)10(12)3-2-6-11/h2-3,6,9,11-13H,4-5,7-8H2,1H3/b3-2-,11-6+,12-10+
InChIKeyCMEYGSMHLWHUQL-UYQYLYHFSA-N
XLogP0.85
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.85
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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Related Compounds

N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide
CID 123645248
1-(3-Methylbut-2-enimidoyl)piperidin-4-amine
CID 123917113
(NZ)-4-amino-N'-methyl-N-prop-2-enylidenepiperidine-1-carboximidamide
CID 144490390
1-[(Z)-but-2-enimidoyl]-N,N-dimethylpiperidin-4-amine
CID 144863043
(Z)-3-[(1-methylpiperidin-4-yl)amino]prop-2-enimidamide
CID 153544675
(3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine
CID 165119534
N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine
CID 165120115
1-methylpiperidin-4-amine;N'-methyl-N-prop-2-enylideneethanimidamide
CID 169104192
(Z)-N-butan-2-yl-N'-piperidin-4-ylbut-2-enimidamide
CID 169926951
(Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide
CID 170731591
1-[(Z)-but-2-enimidoyl]piperidin-3-amine
CID 174360114

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine (CID 145081293) is 1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine is [H]/N=C/C=C\C(=N/[H])N1CCC(NC)CC1.
What is the InChIKey of 1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine?
The InChIKey is CMEYGSMHLWHUQL-UYQYLYHFSA-N. The full InChI is InChI=1S/C10H18N4/c1-13-9-4-7-14(8-5-9)10(12)3-2-6-11/h2-3,6,9,11-13H,4-5,7-8H2,1H3/b3-2-,11-6+,12-10+.
What are the key properties of 1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine?
1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine has a molecular weight of 194.28 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-iminobut-2-enimidoyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 145081293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).