2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine

C13H28N2 — CID 65233318

IUPAC2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)CN1CCCC(C)C1C
InChIInChI=1S/C13H28N2/c1-10(2)13(8-14)9-15-7-5-6-11(3)12(15)4/h10-13H,5-9,14H2,1-4H3
InChIKeyDERIJDJFLYZBIU-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.34
Rot. Bonds4

About 2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine

2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine (PubChem CID 65233318) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine
PubChem CID65233318
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)CN1CCCC(C)C1C
InChIInChI=1S/C13H28N2/c1-10(2)13(8-14)9-15-7-5-6-11(3)12(15)4/h10-13H,5-9,14H2,1-4H3
InChIKeyDERIJDJFLYZBIU-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-ylmethyl)-3-methylbutan-1-amine
CID 65320352
3-[1-[2-(aminomethyl)-3-methylbutyl]pyrrolidin-2-yl]propan-1-ol
CID 107443410
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-3-methylbutan-1-amine
CID 82750739
3-(2,3-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-amine
CID 62256698
4-(2,3-dimethylpiperidin-1-yl)but-2-en-1-amine
CID 77110314
4-(2,3-dimethylpiperidin-1-yl)-2-ethoxybutan-1-amine
CID 63069725
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3-methylbutan-1-amine
CID 65232654
ethyl 4-(2,3-dimethylpiperidin-1-yl)-3-hydroxybutanoate
CID 82770626
1-[(2,3-dimethylpiperidin-1-yl)methyl]cyclopropan-1-amine
CID 65457048
2-(2,3-dimethylpiperidin-1-yl)-4-ethylsulfanylbutan-1-amine
CID 116504084
[5-[(2,3-dimethylpiperidin-1-yl)methyl]oxolan-2-yl]methanamine
CID 62412121
3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
CID 55211075

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine (CID 65233318) is 2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine is CC(C)C(CN)CN1CCCC(C)C1C.
What is the InChIKey of 2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is DERIJDJFLYZBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)13(8-14)9-15-7-5-6-11(3)12(15)4/h10-13H,5-9,14H2,1-4H3.
What are the key properties of 2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine?
2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 212.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylpiperidin-1-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 65233318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).