1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane

C14H28N2 — CID 142193483

IUPAC1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane
SMILESCC.CCCCCNC1C=C(C)C=CN1C
InChIInChI=1S/C12H22N2.C2H6/c1-4-5-6-8-13-12-10-11(2)7-9-14(12)3;1-2/h7,9-10,12-13H,4-6,8H2,1-3H3;1-2H3
InChIKeyCJDMOJJWNBZPAQ-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.52
Rot. Bonds5

About 1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane

1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane (PubChem CID 142193483) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane.

Molecular Properties

Compound Name1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane
PubChem CID142193483
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane
SMILESCC.CCCCCNC1C=C(C)C=CN1C
InChIInChI=1S/C12H22N2.C2H6/c1-4-5-6-8-13-12-10-11(2)7-9-14(12)3;1-2/h7,9-10,12-13H,4-6,8H2,1-3H3;1-2H3
InChIKeyCJDMOJJWNBZPAQ-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane?
The IUPAC name of 1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane (CID 142193483) is 1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane.
What is the SMILES notation for 1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane?
The canonical SMILES for 1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane is CC.CCCCCNC1C=C(C)C=CN1C.
What is the InChIKey of 1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane?
The InChIKey is CJDMOJJWNBZPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2.C2H6/c1-4-5-6-8-13-12-10-11(2)7-9-14(12)3;1-2/h7,9-10,12-13H,4-6,8H2,1-3H3;1-2H3.
What are the key properties of 1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane?
1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane has a molecular weight of 224.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-pentyl-2H-pyridin-2-amine;ethane is sourced from PubChem (CID 142193483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).