2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone

C14H26N2O2 — CID 97336858

IUPAC2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone
SMILESCC(C)=CCC[C@H](C)NCC(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-12(2)5-4-6-13(3)15-11-14(17)16-7-9-18-10-8-16/h5,13,15H,4,6-11H2,1-3H3/t13-/m0/s1
InChIKeyQKTRJUKFYINVTN-ZDUSSCGKSA-N
MW254.37 g/mol
LogP1.57
Rot. Bonds6

About 2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone

2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone (PubChem CID 97336858) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone
PubChem CID97336858
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone
SMILESCC(C)=CCC[C@H](C)NCC(=O)N1CCOCC1
InChIInChI=1S/C14H26N2O2/c1-12(2)5-4-6-13(3)15-11-14(17)16-7-9-18-10-8-16/h5,13,15H,4,6-11H2,1-3H3/t13-/m0/s1
InChIKeyQKTRJUKFYINVTN-ZDUSSCGKSA-N
XLogP1.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone (CID 97336858) is 2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone is CC(C)=CCC[C@H](C)NCC(=O)N1CCOCC1.
What is the InChIKey of 2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone?
The InChIKey is QKTRJUKFYINVTN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)5-4-6-13(3)15-11-14(17)16-7-9-18-10-8-16/h5,13,15H,4,6-11H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone?
2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone has a molecular weight of 254.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-6-methylhept-5-en-2-yl]amino]-1-morpholin-4-ylethanone is sourced from PubChem (CID 97336858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).