1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine

C13H29N3 — CID 79328509

IUPAC1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine
SMILESCCC(C)CN(C)CCN1CCC(N)CC1
InChIInChI=1S/C13H29N3/c1-4-12(2)11-15(3)9-10-16-7-5-13(14)6-8-16/h12-13H,4-11,14H2,1-3H3
InChIKeyWIYCJPBUXWVZMS-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds6

About 1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine

1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine (PubChem CID 79328509) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine
PubChem CID79328509
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine
SMILESCCC(C)CN(C)CCN1CCC(N)CC1
InChIInChI=1S/C13H29N3/c1-4-12(2)11-15(3)9-10-16-7-5-13(14)6-8-16/h12-13H,4-11,14H2,1-3H3
InChIKeyWIYCJPBUXWVZMS-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine (CID 79328509) is 1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine is CCC(C)CN(C)CCN1CCC(N)CC1.
What is the InChIKey of 1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine?
The InChIKey is WIYCJPBUXWVZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-12(2)11-15(3)9-10-16-7-5-13(14)6-8-16/h12-13H,4-11,14H2,1-3H3.
What are the key properties of 1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine?
1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl(2-methylbutyl)amino]ethyl]piperidin-4-amine is sourced from PubChem (CID 79328509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).