N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide

C14H23N5 — CID 176523672

IUPACN-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)NC(/C=C\C=C)=C/C)N1CCCCC1
InChIInChI=1S/C14H23N5/c1-3-5-9-12(4-2)17-13(15)18-14(16)19-10-7-6-8-11-19/h3-5,9H,1,6-8,10-11H2,2H3,(H4,15,16,17,18)/b9-5-,12-4+
InChIKeyYEBNBBQTVXZDNL-WQPWRAGBSA-N
MW261.37 g/mol
LogP1.96
Rot. Bonds3

About N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide

N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide (PubChem CID 176523672) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide
PubChem CID176523672
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)NC(/C=C\C=C)=C/C)N1CCCCC1
InChIInChI=1S/C14H23N5/c1-3-5-9-12(4-2)17-13(15)18-14(16)19-10-7-6-8-11-19/h3-5,9H,1,6-8,10-11H2,2H3,(H4,15,16,17,18)/b9-5-,12-4+
InChIKeyYEBNBBQTVXZDNL-WQPWRAGBSA-N
XLogP1.96
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide?
The IUPAC name of N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide (CID 176523672) is N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide.
What is the SMILES notation for N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide?
The canonical SMILES for N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide is [H]/N=C(\N=C(N)NC(/C=C\C=C)=C/C)N1CCCCC1.
What is the InChIKey of N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide?
The InChIKey is YEBNBBQTVXZDNL-WQPWRAGBSA-N. The full InChI is InChI=1S/C14H23N5/c1-3-5-9-12(4-2)17-13(15)18-14(16)19-10-7-6-8-11-19/h3-5,9H,1,6-8,10-11H2,2H3,(H4,15,16,17,18)/b9-5-,12-4+.
What are the key properties of N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide?
N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide has a molecular weight of 261.37 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[[(2E,4Z)-hepta-2,4,6-trien-3-yl]amino]methylidene]piperidine-1-carboximidamide is sourced from PubChem (CID 176523672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).