1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen

C11H30N2 — CID 176946053

IUPAC1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen
SMILESCC.CC.CC1CN(C)CCC1N.[H][H]
InChIInChI=1S/C7H16N2.2C2H6.H2/c1-6-5-9(2)4-3-7(6)8;2*1-2;/h6-7H,3-5,8H2,1-2H3;2*1-2H3;1H
InChIKeyJPDHYGJHJUAQPI-UHFFFAOYSA-N
MW190.38 g/mol
LogP2.58
Rot. Bonds

About 1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen

1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen (PubChem CID 176946053) has the molecular formula C11H30N2 and a molecular weight of 190.38 g/mol. Its IUPAC name is 1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen.

Molecular Properties

Compound Name1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen
PubChem CID176946053
Molecular FormulaC11H30N2
Molecular Weight190.38 g/mol
Exact Mass190.24
IUPAC Name1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen
SMILESCC.CC.CC1CN(C)CCC1N.[H][H]
InChIInChI=1S/C7H16N2.2C2H6.H2/c1-6-5-9(2)4-3-7(6)8;2*1-2;/h6-7H,3-5,8H2,1-2H3;2*1-2H3;1H
InChIKeyJPDHYGJHJUAQPI-UHFFFAOYSA-N
XLogP2.58
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1,3-dimethylpiperidin-4-amine
CID 98186941
1,3-dimethylpiperidin-4-amine;dihydrochloride
CID 53407082
1,4-dimethylpiperidin-3-amine;ethane
CID 169133952
(4R)-1-methylpiperidine-3,4-diamine
CID 145189555
ethane;1,3,4-trimethylpiperidine
CID 142222872
(1,3-dimethylpiperidin-4-yl)methanamine
CID 55285263
(3S,4R)-4-amino-1-methylpiperidin-3-ol;ethane
CID 145443394
(3S,4R)-1,3,4-trimethylpiperidine
CID 14454424
1,3,4-trimethylpiperidine
CID 14454423
(4-amino-3-methylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 79867793
1-hydroxy-3-methylpiperidin-4-amine
CID 70254159
ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine
CID 145443384

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen?
The IUPAC name of 1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen (CID 176946053) is 1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen.
What is the SMILES notation for 1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen?
The canonical SMILES for 1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen is CC.CC.CC1CN(C)CCC1N.[H][H].
What is the InChIKey of 1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen?
The InChIKey is JPDHYGJHJUAQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2.2C2H6.H2/c1-6-5-9(2)4-3-7(6)8;2*1-2;/h6-7H,3-5,8H2,1-2H3;2*1-2H3;1H.
What are the key properties of 1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen?
1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen has a molecular weight of 190.38 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpiperidin-4-amine;ethane;molecular hydrogen is sourced from PubChem (CID 176946053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).