ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine

C16H34N4 — CID 167474863

IUPACethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine
SMILESCC.CNN1CCC(CN2C3CCC2CN(C)C3)CC1
InChIInChI=1S/C14H28N4.C2H6/c1-15-17-7-5-12(6-8-17)9-18-13-3-4-14(18)11-16(2)10-13;1-2/h12-15H,3-11H2,1-2H3;1-2H3
InChIKeyHNWDZMACOCAAQL-UHFFFAOYSA-N
MW282.48 g/mol
LogP1.64
Rot. Bonds3

About ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine

ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine (PubChem CID 167474863) has the molecular formula C16H34N4 and a molecular weight of 282.48 g/mol. Its IUPAC name is ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine
PubChem CID167474863
Molecular FormulaC16H34N4
Molecular Weight282.48 g/mol
Exact Mass282.28
IUPAC Nameethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine
SMILESCC.CNN1CCC(CN2C3CCC2CN(C)C3)CC1
InChIInChI=1S/C14H28N4.C2H6/c1-15-17-7-5-12(6-8-17)9-18-13-3-4-14(18)11-16(2)10-13;1-2/h12-15H,3-11H2,1-2H3;1-2H3
InChIKeyHNWDZMACOCAAQL-UHFFFAOYSA-N
XLogP1.64
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine?
The IUPAC name of ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine (CID 167474863) is ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine.
What is the SMILES notation for ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine?
The canonical SMILES for ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine is CC.CNN1CCC(CN2C3CCC2CN(C)C3)CC1.
What is the InChIKey of ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine?
The InChIKey is HNWDZMACOCAAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4.C2H6/c1-15-17-7-5-12(6-8-17)9-18-13-3-4-14(18)11-16(2)10-13;1-2/h12-15H,3-11H2,1-2H3;1-2H3.
What are the key properties of ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine?
ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine has a molecular weight of 282.48 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-[(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 167474863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).