N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide

C18H32N4 — CID 142909601

IUPACN'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide
SMILESCC/C=C\C/C=C\CCC(/N=C(\N)C1CCNCC1)=N\CC
InChIInChI=1S/C18H32N4/c1-3-5-6-7-8-9-10-11-17(21-4-2)22-18(19)16-12-14-20-15-13-16/h5-6,8-9,16,20H,3-4,7,10-15H2,1-2H3,(H2,19,21,22)/b6-5-,9-8-
InChIKeyHGYAKGVQYYXKFQ-AFJQJTPPSA-N
MW304.48 g/mol
LogP3.45
Rot. Bonds8

About N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide

N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide (PubChem CID 142909601) has the molecular formula C18H32N4 and a molecular weight of 304.48 g/mol. Its IUPAC name is N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide
PubChem CID142909601
Molecular FormulaC18H32N4
Molecular Weight304.48 g/mol
Exact Mass304.26
IUPAC NameN'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide
SMILESCC/C=C\C/C=C\CCC(/N=C(\N)C1CCNCC1)=N\CC
InChIInChI=1S/C18H32N4/c1-3-5-6-7-8-9-10-11-17(21-4-2)22-18(19)16-12-14-20-15-13-16/h5-6,8-9,16,20H,3-4,7,10-15H2,1-2H3,(H2,19,21,22)/b6-5-,9-8-
InChIKeyHGYAKGVQYYXKFQ-AFJQJTPPSA-N
XLogP3.45
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide?
The IUPAC name of N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide (CID 142909601) is N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide.
What is the SMILES notation for N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide?
The canonical SMILES for N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide is CC/C=C\C/C=C\CCC(/N=C(\N)C1CCNCC1)=N\CC.
What is the InChIKey of N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide?
The InChIKey is HGYAKGVQYYXKFQ-AFJQJTPPSA-N. The full InChI is InChI=1S/C18H32N4/c1-3-5-6-7-8-9-10-11-17(21-4-2)22-18(19)16-12-14-20-15-13-16/h5-6,8-9,16,20H,3-4,7,10-15H2,1-2H3,(H2,19,21,22)/b6-5-,9-8-.
What are the key properties of N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide?
N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide has a molecular weight of 304.48 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-ethyl-C-[(3Z,6Z)-nona-3,6-dienyl]carbonimidoyl]piperidine-4-carboximidamide is sourced from PubChem (CID 142909601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).