1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine

C25H55N5 — CID 159763964

IUPAC1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine
SMILESCC1=CCN(C)CC1.CC1CCN(C)CC1.CCCN(C)C.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.C6H14N2.C5H13N/c3*1-7-3-5-8(2)6-4-7;1-4-5-6(2)3/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3;4-5H2,1-3H3
InChIKeyNFGIXAXLUHWYCL-UHFFFAOYSA-N
MW425.75 g/mol
LogP3.44
Rot. Bonds2

About 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine

1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine (PubChem CID 159763964) has the molecular formula C25H55N5 and a molecular weight of 425.75 g/mol. Its IUPAC name is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine
PubChem CID159763964
Molecular FormulaC25H55N5
Molecular Weight425.75 g/mol
Exact Mass425.45
IUPAC Name1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine
SMILESCC1=CCN(C)CC1.CC1CCN(C)CC1.CCCN(C)C.CN1CCN(C)CC1
InChIInChI=1S/C7H15N.C7H13N.C6H14N2.C5H13N/c3*1-7-3-5-8(2)6-4-7;1-4-5-6(2)3/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3;4-5H2,1-3H3
InChIKeyNFGIXAXLUHWYCL-UHFFFAOYSA-N
XLogP3.44
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.75
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine?
The IUPAC name of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine (CID 159763964) is 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine.
What is the SMILES notation for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine?
The canonical SMILES for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine is CC1=CCN(C)CC1.CC1CCN(C)CC1.CCCN(C)C.CN1CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine?
The InChIKey is NFGIXAXLUHWYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.C7H13N.C6H14N2.C5H13N/c3*1-7-3-5-8(2)6-4-7;1-4-5-6(2)3/h7H,3-6H2,1-2H3;3H,4-6H2,1-2H3;3-6H2,1-2H3;4-5H2,1-3H3.
What are the key properties of 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine?
1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine has a molecular weight of 425.75 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3,6-dihydro-2H-pyridine;1,4-dimethylpiperazine;1,4-dimethylpiperidine;N,N-dimethylpropan-1-amine is sourced from PubChem (CID 159763964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).