N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine

C13H28N2 — CID 146262261

IUPACN,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine
SMILESCC(C)C(C)N1CCC(CN(C)C)CC1
InChIInChI=1S/C13H28N2/c1-11(2)12(3)15-8-6-13(7-9-15)10-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyUDBJPXSLZRPGSG-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.30
Rot. Bonds4

About N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine

N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine (PubChem CID 146262261) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine
PubChem CID146262261
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine
SMILESCC(C)C(C)N1CCC(CN(C)C)CC1
InChIInChI=1S/C13H28N2/c1-11(2)12(3)15-8-6-13(7-9-15)10-14(4)5/h11-13H,6-10H2,1-5H3
InChIKeyUDBJPXSLZRPGSG-UHFFFAOYSA-N
XLogP2.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine (CID 146262261) is N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine is CC(C)C(C)N1CCC(CN(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine?
The InChIKey is UDBJPXSLZRPGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-11(2)12(3)15-8-6-13(7-9-15)10-14(4)5/h11-13H,6-10H2,1-5H3.
What are the key properties of N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine?
N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine has a molecular weight of 212.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[1-(3-methylbutan-2-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 146262261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).