2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine

C14H28N2 — CID 90393968

IUPAC2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
SMILESCC(C)C1=CCN(CCNC(C)(C)C)CC1
InChIInChI=1S/C14H28N2/c1-12(2)13-6-9-16(10-7-13)11-8-15-14(3,4)5/h6,12,15H,7-11H2,1-5H3
InChIKeyMGJSNTWGIKZZHV-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds4

About 2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine

2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine (PubChem CID 90393968) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
PubChem CID90393968
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine
SMILESCC(C)C1=CCN(CCNC(C)(C)C)CC1
InChIInChI=1S/C14H28N2/c1-12(2)13-6-9-16(10-7-13)11-8-15-14(3,4)5/h6,12,15H,7-11H2,1-5H3
InChIKeyMGJSNTWGIKZZHV-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
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 2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine (CID 90393968) is 2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine is CC(C)C1=CCN(CCNC(C)(C)C)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine?
The InChIKey is MGJSNTWGIKZZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-12(2)13-6-9-16(10-7-13)11-8-15-14(3,4)5/h6,12,15H,7-11H2,1-5H3.
What are the key properties of 2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-propan-2-yl-3,6-dihydro-2H-pyridin-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 90393968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).