N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide

C11H22N4O — CID 90084985

IUPACN-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide
SMILESC/C(N)=N\CCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C11H22N4O/c1-9(12)13-5-6-14-11(16)10-3-7-15(2)8-4-10/h10H,3-8H2,1-2H3,(H2,12,13)(H,14,16)
InChIKeyVLCBOOJXJAGSPX-UHFFFAOYSA-N
MW226.32 g/mol
LogP-0.18
Rot. Bonds4

About N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide

N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide (PubChem CID 90084985) has the molecular formula C11H22N4O and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide
PubChem CID90084985
Molecular FormulaC11H22N4O
Molecular Weight226.32 g/mol
Exact Mass226.18
IUPAC NameN-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide
SMILESC/C(N)=N\CCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C11H22N4O/c1-9(12)13-5-6-14-11(16)10-3-7-15(2)8-4-10/h10H,3-8H2,1-2H3,(H2,12,13)(H,14,16)
InChIKeyVLCBOOJXJAGSPX-UHFFFAOYSA-N
XLogP-0.18
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 16769085
n-[2-(Dimethylamino)ethyl]piperidine-4-carboxamide
CID 7175821
N-(2-aminoethyl)-1-methylpiperidine-4-carboxamide
CID 53215741
N'-[(1-butanoylpiperidin-3-yl)methyl]ethanimidamide
CID 53844572
N-((4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-2-yl)methyl)acetamide
CID 57908095
N-[2-(dimethylamino)ethyl]-1-methylpiperidine-4-carboxamide
CID 59833330
N-[2-(dimethylamino)ethyl]-1-ethylpiperidine-4-carboxamide
CID 70672359
N'-[3-[(2S,5S)-4-acetyl-5-methylpiperazin-2-yl]propyl]ethanimidamide
CID 89328660
N-[2-(ethylamino)ethyl]-1-methylpiperidine-4-carboxamide
CID 89925318
N-[2-(diaminomethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide
CID 90084956
N-(3-amino-3-iminopropyl)-1-methylpiperidine-4-carboxamide
CID 90084974
N-[2-[ethyl(propyl)amino]ethyl]piperidine-4-carboxamide
CID 113267634

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide (CID 90084985) is N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide is C/C(N)=N\CCNC(=O)C1CCN(C)CC1.
What is the InChIKey of N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide?
The InChIKey is VLCBOOJXJAGSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O/c1-9(12)13-5-6-14-11(16)10-3-7-15(2)8-4-10/h10H,3-8H2,1-2H3,(H2,12,13)(H,14,16).
What are the key properties of N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide?
N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide has a molecular weight of 226.32 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethylideneamino)ethyl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 90084985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).