4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine

C33H73N7O2 — CID 158223106

IUPAC4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine
SMILESCC1CCCNCC1.CC1CCNC1.CC1CCNCC1.CC1CNCCN1.CC1CNCCO1.CC1COCCN1
InChIInChI=1S/C7H15N.C6H13N.C5H12N2.2C5H11NO.C5H11N/c1-7-3-2-5-8-6-4-7;1-6-2-4-7-5-3-6;1-5-4-6-2-3-7-5;1-5-4-7-3-2-6-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-5/h7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;5-7H,2-4H2,1H3;2*5-6H,2-4H2,1H3;5-6H,2-4H2,1H3
InChIKeyGDMFANPHKBRNMN-UHFFFAOYSA-N
MW599.99 g/mol
LogP2.57
Rot. Bonds

About 4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine

4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine (PubChem CID 158223106) has the molecular formula C33H73N7O2 and a molecular weight of 599.99 g/mol. Its IUPAC name is 4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine.

Molecular Properties

Compound Name4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine
PubChem CID158223106
Molecular FormulaC33H73N7O2
Molecular Weight599.99 g/mol
Exact Mass599.58
IUPAC Name4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine
SMILESCC1CCCNCC1.CC1CCNC1.CC1CCNCC1.CC1CNCCN1.CC1CNCCO1.CC1COCCN1
InChIInChI=1S/C7H15N.C6H13N.C5H12N2.2C5H11NO.C5H11N/c1-7-3-2-5-8-6-4-7;1-6-2-4-7-5-3-6;1-5-4-6-2-3-7-5;1-5-4-7-3-2-6-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-5/h7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;5-7H,2-4H2,1H3;2*5-6H,2-4H2,1H3;5-6H,2-4H2,1H3
InChIKeyGDMFANPHKBRNMN-UHFFFAOYSA-N
XLogP2.57
TPSA102.67 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.99
LogP ≤ 52.57
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine?
The IUPAC name of 4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine (CID 158223106) is 4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine.
What is the SMILES notation for 4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine?
The canonical SMILES for 4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine is CC1CCCNCC1.CC1CCNC1.CC1CCNCC1.CC1CNCCN1.CC1CNCCO1.CC1COCCN1.
What is the InChIKey of 4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine?
The InChIKey is GDMFANPHKBRNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C6H13N.C5H12N2.2C5H11NO.C5H11N/c1-7-3-2-5-8-6-4-7;1-6-2-4-7-5-3-6;1-5-4-6-2-3-7-5;1-5-4-7-3-2-6-5;1-5-4-6-2-3-7-5;1-5-2-3-6-4-5/h7-8H,2-6H2,1H3;6-7H,2-5H2,1H3;5-7H,2-4H2,1H3;2*5-6H,2-4H2,1H3;5-6H,2-4H2,1H3.
What are the key properties of 4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine?
4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine has a molecular weight of 599.99 g/mol, XLogP of 2.57, 0 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylazepane;2-methylmorpholine;3-methylmorpholine;2-methylpiperazine;4-methylpiperidine;3-methylpyrrolidine is sourced from PubChem (CID 158223106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).