1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine

C13H29N3 — CID 66452822

IUPAC1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine
SMILESCC(N)C(C)(C)CN1CCCC(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-11(14)13(2,3)10-16-8-6-7-12(9-16)15(4)5/h11-12H,6-10,14H2,1-5H3
InChIKeyAMWGISWKEJOBQL-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds4

About 1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine

1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine (PubChem CID 66452822) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine
PubChem CID66452822
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine
SMILESCC(N)C(C)(C)CN1CCCC(N(C)C)C1
InChIInChI=1S/C13H29N3/c1-11(14)13(2,3)10-16-8-6-7-12(9-16)15(4)5/h11-12H,6-10,14H2,1-5H3
InChIKeyAMWGISWKEJOBQL-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

1-[3-(dimethylamino)piperidin-1-yl]-2,3-dimethylbutan-2-ol
CID 114448938
4-(3-ethylpiperidin-1-yl)-3,3-dimethylbutan-2-amine
CID 66454924
4-(azetidin-1-yl)-3,3-dimethylbutan-2-amine
CID 126980720
3,3-dimethyl-4-pyrrolidin-1-ylbutan-2-amine
CID 66452958
(3R)-1-ethyl-N,N-dimethylpiperidin-3-amine
CID 95912118
3,3-dimethyl-4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 66453018
4-(3,4-dimethylpyrrolidin-1-yl)-3,3-dimethylbutan-2-amine
CID 79183847
1-[3-(dimethylamino)piperidin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 63950586
(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263
2-[[3-(dimethylamino)piperidin-1-yl]methyl]-3,3,3-trifluoropropanethioamide
CID 103368761
3,3-dimethyl-4-(2-propan-2-ylpyrrolidin-1-yl)butan-2-amine
CID 66452601
3-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-2-(methylamino)propanenitrile
CID 63165200

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of 1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine (CID 66452822) is 1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for 1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for 1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine is CC(N)C(C)(C)CN1CCCC(N(C)C)C1.
What is the InChIKey of 1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is AMWGISWKEJOBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-11(14)13(2,3)10-16-8-6-7-12(9-16)15(4)5/h11-12H,6-10,14H2,1-5H3.
What are the key properties of 1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine?
1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,2-dimethylbutyl)-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 66452822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).