1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine

C13H29N3 — CID 43585962

IUPAC1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CC(N)C(C)(C)C)CC1
InChIInChI=1S/C13H29N3/c1-13(2,3)12(14)10-16-8-6-11(7-9-16)15(4)5/h11-12H,6-10,14H2,1-5H3
InChIKeySIICLLGXGAFHJX-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.39
Rot. Bonds3

About 1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine

1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine (PubChem CID 43585962) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine
PubChem CID43585962
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine
SMILESCN(C)C1CCN(CC(N)C(C)(C)C)CC1
InChIInChI=1S/C13H29N3/c1-13(2,3)12(14)10-16-8-6-11(7-9-16)15(4)5/h11-12H,6-10,14H2,1-5H3
InChIKeySIICLLGXGAFHJX-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

3-amino-N-ethylpiperidine
CID 98094
1-(2-Methylpropyl)piperidin-4-amine
CID 550780
1-(1-Isopropyl-3-piperidinyl)methanamine
CID 3157476
1-(Propan-2-yl)piperidin-4-amine
CID 3163333
1,3,3-Trimethylpiperidin-4-amine
CID 68271528
2-(2-Methylpiperidin-1-yl)ethan-1-amine
CID 3149263
1-Butylpiperidin-4-amine
CID 12262820
4-(4-Methylpiperazin-1-yl)butan-2-amine
CID 20069902
1-(3,3-Dimethylbutyl)piperazine
CID 23112345
N,1-dimethyl-N-[2-(methylamino)ethyl]piperidin-4-amine
CID 28598734
1-Propylpiperidin-4-amine
CID 541730
1-Propylpiperidin-3-amine
CID 18464262

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine (CID 43585962) is 1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine is CN(C)C1CCN(CC(N)C(C)(C)C)CC1.
What is the InChIKey of 1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine?
The InChIKey is SIICLLGXGAFHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-13(2,3)12(14)10-16-8-6-11(7-9-16)15(4)5/h11-12H,6-10,14H2,1-5H3.
What are the key properties of 1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine?
1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine has a molecular weight of 227.40 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3,3-dimethylbutyl)-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 43585962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).