1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine

C10H20N2 — CID 91195489

IUPAC1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine
SMILESCC(C)C1(C)C=CC(N)CN1C
InChIInChI=1S/C10H20N2/c1-8(2)10(3)6-5-9(11)7-12(10)4/h5-6,8-9H,7,11H2,1-4H3
InChIKeyZTDLCRPNNUEABL-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.23
Rot. Bonds1

About 1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine

1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine (PubChem CID 91195489) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine.

Molecular Properties

Compound Name1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine
PubChem CID91195489
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine
SMILESCC(C)C1(C)C=CC(N)CN1C
InChIInChI=1S/C10H20N2/c1-8(2)10(3)6-5-9(11)7-12(10)4/h5-6,8-9H,7,11H2,1-4H3
InChIKeyZTDLCRPNNUEABL-UHFFFAOYSA-N
XLogP1.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine?
The IUPAC name of 1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine (CID 91195489) is 1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine.
What is the SMILES notation for 1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine?
The canonical SMILES for 1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine is CC(C)C1(C)C=CC(N)CN1C.
What is the InChIKey of 1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine?
The InChIKey is ZTDLCRPNNUEABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-8(2)10(3)6-5-9(11)7-12(10)4/h5-6,8-9H,7,11H2,1-4H3.
What are the key properties of 1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine?
1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine has a molecular weight of 168.28 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-6-propan-2-yl-2,3-dihydropyridin-3-amine is sourced from PubChem (CID 91195489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).