N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide

C13H23N5 — CID 176523673

IUPACN-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)NC(/C=C\C)=C/C)N1CCCCC1
InChIInChI=1S/C13H23N5/c1-3-8-11(4-2)16-12(14)17-13(15)18-9-6-5-7-10-18/h3-4,8H,5-7,9-10H2,1-2H3,(H4,14,15,16,17)/b8-3-,11-4+
InChIKeyNXRMVWJBVMJMQZ-YMRMPOAWSA-N
MW249.36 g/mol
LogP1.79
Rot. Bonds2

About N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide

N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide (PubChem CID 176523673) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide.

Molecular Properties

Compound NameN-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide
PubChem CID176523673
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide
SMILES[H]/N=C(\N=C(N)NC(/C=C\C)=C/C)N1CCCCC1
InChIInChI=1S/C13H23N5/c1-3-8-11(4-2)16-12(14)17-13(15)18-9-6-5-7-10-18/h3-4,8H,5-7,9-10H2,1-2H3,(H4,14,15,16,17)/b8-3-,11-4+
InChIKeyNXRMVWJBVMJMQZ-YMRMPOAWSA-N
XLogP1.79
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.79
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)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide?
The IUPAC name of N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide (CID 176523673) is N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide.
What is the SMILES notation for N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide?
The canonical SMILES for N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide is [H]/N=C(\N=C(N)NC(/C=C\C)=C/C)N1CCCCC1.
What is the InChIKey of N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide?
The InChIKey is NXRMVWJBVMJMQZ-YMRMPOAWSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-8-11(4-2)16-12(14)17-13(15)18-9-6-5-7-10-18/h3-4,8H,5-7,9-10H2,1-2H3,(H4,14,15,16,17)/b8-3-,11-4+.
What are the key properties of N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide?
N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide has a molecular weight of 249.36 g/mol, XLogP of 1.79, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino-[[(2E,4Z)-hexa-2,4-dien-3-yl]amino]methylidene]piperidine-1-carboximidamide is sourced from PubChem (CID 176523673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).