N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine

C13H28N2 — CID 106740883

IUPACN,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine
SMILESCCC(C)CN(C)CC1CCNC(C)C1
InChIInChI=1S/C13H28N2/c1-5-11(2)9-15(4)10-13-6-7-14-12(3)8-13/h11-14H,5-10H2,1-4H3
InChIKeyWSMPAVRNPXUQOV-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.35
Rot. Bonds5

About N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine

N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine (PubChem CID 106740883) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine
PubChem CID106740883
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine
SMILESCCC(C)CN(C)CC1CCNC(C)C1
InChIInChI=1S/C13H28N2/c1-5-11(2)9-15(4)10-13-6-7-14-12(3)8-13/h11-14H,5-10H2,1-4H3
InChIKeyWSMPAVRNPXUQOV-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine?
The IUPAC name of N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine (CID 106740883) is N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine?
The canonical SMILES for N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine is CCC(C)CN(C)CC1CCNC(C)C1.
What is the InChIKey of N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine?
The InChIKey is WSMPAVRNPXUQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-5-11(2)9-15(4)10-13-6-7-14-12(3)8-13/h11-14H,5-10H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine?
N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 106740883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).