1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine

C17H30N2 — CID 134422826

IUPAC1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine
SMILESC=C(CC)CCCN(CCC)C1=CC(C)N(C)C=C1
InChIInChI=1S/C17H30N2/c1-6-11-19(12-8-9-15(3)7-2)17-10-13-18(5)16(4)14-17/h10,13-14,16H,3,6-9,11-12H2,1-2,4-5H3
InChIKeyKBBPUJFHPXFOFR-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.18
Rot. Bonds8

About 1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine

1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine (PubChem CID 134422826) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine.

Molecular Properties

Compound Name1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine
PubChem CID134422826
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine
SMILESC=C(CC)CCCN(CCC)C1=CC(C)N(C)C=C1
InChIInChI=1S/C17H30N2/c1-6-11-19(12-8-9-15(3)7-2)17-10-13-18(5)16(4)14-17/h10,13-14,16H,3,6-9,11-12H2,1-2,4-5H3
InChIKeyKBBPUJFHPXFOFR-UHFFFAOYSA-N
XLogP4.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
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 1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine?
The IUPAC name of 1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine (CID 134422826) is 1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine.
What is the SMILES notation for 1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine?
The canonical SMILES for 1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine is C=C(CC)CCCN(CCC)C1=CC(C)N(C)C=C1.
What is the InChIKey of 1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine?
The InChIKey is KBBPUJFHPXFOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-11-19(12-8-9-15(3)7-2)17-10-13-18(5)16(4)14-17/h10,13-14,16H,3,6-9,11-12H2,1-2,4-5H3.
What are the key properties of 1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine?
1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine has a molecular weight of 262.44 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(4-methylidenehexyl)-N-propyl-2H-pyridin-4-amine is sourced from PubChem (CID 134422826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).