N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine

C8H15N3 — CID 138576378

IUPACN-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine
SMILESC/C=C1/CNCC/C1=N/NC
InChIInChI=1S/C8H15N3/c1-3-7-6-10-5-4-8(7)11-9-2/h3,9-10H,4-6H2,1-2H3/b7-3-,11-8-
InChIKeyPKAOFZYSUSVNFQ-FOTFMCMHSA-N
MW153.23 g/mol
LogP0.50
Rot. Bonds1

About N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine

N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine (PubChem CID 138576378) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine
PubChem CID138576378
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine
SMILESC/C=C1/CNCC/C1=N/NC
InChIInChI=1S/C8H15N3/c1-3-7-6-10-5-4-8(7)11-9-2/h3,9-10H,4-6H2,1-2H3/b7-3-,11-8-
InChIKeyPKAOFZYSUSVNFQ-FOTFMCMHSA-N
XLogP0.50
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine (CID 138576378) is N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine is C/C=C1/CNCC/C1=N/NC.
What is the InChIKey of N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine?
The InChIKey is PKAOFZYSUSVNFQ-FOTFMCMHSA-N. The full InChI is InChI=1S/C8H15N3/c1-3-7-6-10-5-4-8(7)11-9-2/h3,9-10H,4-6H2,1-2H3/b7-3-,11-8-.
What are the key properties of N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine?
N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine has a molecular weight of 153.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3Z)-3-ethylidenepiperidin-4-ylidene]amino]methanamine is sourced from PubChem (CID 138576378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).