N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide

C12H23N3O — CID 4287138

IUPACN-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide
SMILESCCN1CCC(=NNC(=O)CC(C)C)CC1
InChIInChI=1S/C12H23N3O/c1-4-15-7-5-11(6-8-15)13-14-12(16)9-10(2)3/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyPTXRZQRUJJPOTR-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.62
Rot. Bonds4

About N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide

N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide (PubChem CID 4287138) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide
PubChem CID4287138
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide
SMILESCCN1CCC(=NNC(=O)CC(C)C)CC1
InChIInChI=1S/C12H23N3O/c1-4-15-7-5-11(6-8-15)13-14-12(16)9-10(2)3/h10H,4-9H2,1-3H3,(H,14,16)
InChIKeyPTXRZQRUJJPOTR-UHFFFAOYSA-N
XLogP1.62
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
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-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide?
The IUPAC name of N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide (CID 4287138) is N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide.
What is the SMILES notation for N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide?
The canonical SMILES for N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide is CCN1CCC(=NNC(=O)CC(C)C)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide?
The InChIKey is PTXRZQRUJJPOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-15-7-5-11(6-8-15)13-14-12(16)9-10(2)3/h10H,4-9H2,1-3H3,(H,14,16).
What are the key properties of N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide?
N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide has a molecular weight of 225.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-ylidene)amino]-3-methylbutanamide is sourced from PubChem (CID 4287138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).