2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine

C19H40N2 — CID 177172958

IUPAC2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine
SMILESC1NC23CC(C2)C13.CC.CC.CCCC1(C)CCCNC1
InChIInChI=1S/C9H19N.C6H9N.2C2H6/c1-3-5-9(2)6-4-7-10-8-9;1-4-2-6(1)5(4)3-7-6;2*1-2/h10H,3-8H2,1-2H3;4-5,7H,1-3H2;2*1-2H3
InChIKeyRXQMAVUMFFLMNJ-UHFFFAOYSA-N
MW296.54 g/mol
LogP4.60
Rot. Bonds2

About 2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine

2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine (PubChem CID 177172958) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is 2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine.

Molecular Properties

Compound Name2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine
PubChem CID177172958
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC Name2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine
SMILESC1NC23CC(C2)C13.CC.CC.CCCC1(C)CCCNC1
InChIInChI=1S/C9H19N.C6H9N.2C2H6/c1-3-5-9(2)6-4-7-10-8-9;1-4-2-6(1)5(4)3-7-6;2*1-2/h10H,3-8H2,1-2H3;4-5,7H,1-3H2;2*1-2H3
InChIKeyRXQMAVUMFFLMNJ-UHFFFAOYSA-N
XLogP4.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.54
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-methyl-3-propylpyrrolidine
CID 94411768
3-methyl-3-propylpyrrolidine
CID 22393542
3-fluoro-3-propylpiperidine
CID 83815245
(3R)-3-fluoro-3-propylpiperidine
CID 89109872
(3-methylpiperidin-3-yl)methanol
CID 19594566
(3S)-3-butyl-3-methylpyrrolidine;ethane;propane
CID 171834249
methanamine;1-methyl-1-propylcyclohexane
CID 143166123
2,2-dipropylpyrrolidine
CID 13332418
ethane;ethylcyclopentane;1-methyl-1-propylcyclohexane
CID 153335761
2-[(3S)-3-methylpiperidin-3-yl]acetonitrile;hydrochloride
CID 175981962
N-[(1-ethylcyclopentyl)methyl]-1-(3-methylpiperidin-3-yl)methanamine
CID 114125809
4-ethyl-4-methylazepane
CID 55299291

Frequently Asked Questions

What is the IUPAC name of 2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine?
The IUPAC name of 2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine (CID 177172958) is 2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine.
What is the SMILES notation for 2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine?
The canonical SMILES for 2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine is C1NC23CC(C2)C13.CC.CC.CCCC1(C)CCCNC1.
What is the InChIKey of 2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine?
The InChIKey is RXQMAVUMFFLMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C6H9N.2C2H6/c1-3-5-9(2)6-4-7-10-8-9;1-4-2-6(1)5(4)3-7-6;2*1-2/h10H,3-8H2,1-2H3;4-5,7H,1-3H2;2*1-2H3.
What are the key properties of 2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine?
2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine has a molecular weight of 296.54 g/mol, XLogP of 4.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azatricyclo[3.1.1.01,4]heptane;ethane;3-methyl-3-propylpiperidine is sourced from PubChem (CID 177172958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).