4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine

C11H22N2 — CID 130765996

IUPAC4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
SMILESCC1=C(C)CN(CCC(C)N)CC1
InChIInChI=1S/C11H22N2/c1-9-4-6-13(8-10(9)2)7-5-11(3)12/h11H,4-8,12H2,1-3H3
InChIKeyPUJKFOBRPWEGJI-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.77
Rot. Bonds3

About 4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine

4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine (PubChem CID 130765996) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine.

Molecular Properties

Compound Name4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
PubChem CID130765996
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
SMILESCC1=C(C)CN(CCC(C)N)CC1
InChIInChI=1S/C11H22N2/c1-9-4-6-13(8-10(9)2)7-5-11(3)12/h11H,4-8,12H2,1-3H3
InChIKeyPUJKFOBRPWEGJI-UHFFFAOYSA-N
XLogP1.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)propan-2-amine
CID 131140813
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
4-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine
CID 106315085
4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 54942886
4-(2,5-dihydropyrrol-1-yl)butan-2-amine
CID 65417497
4-(10,12-dihydro-5H-benzo[d][2]benzazocin-11-yl)butan-2-amine
CID 57373865
4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-2-amine
CID 63009941
4-(4,4-diethylpiperidin-1-yl)butan-2-amine
CID 63160822
4-(3-ethylazetidin-1-yl)butan-2-amine
CID 79677546
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)hexan-2-amine
CID 82853174
(2S)-4-(4-benzylpiperazin-1-yl)butan-2-amine
CID 93338021
2-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)acetonitrile;ethane;propane
CID 177140859

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The IUPAC name of 4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine (CID 130765996) is 4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine.
What is the SMILES notation for 4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The canonical SMILES for 4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine is CC1=C(C)CN(CCC(C)N)CC1.
What is the InChIKey of 4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
The InChIKey is PUJKFOBRPWEGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9-4-6-13(8-10(9)2)7-5-11(3)12/h11H,4-8,12H2,1-3H3.
What are the key properties of 4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine?
4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine has a molecular weight of 182.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)butan-2-amine is sourced from PubChem (CID 130765996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).