ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine

C17H34N4 — CID 169122748

IUPACethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine
SMILESCC.CCNc1cc(N(C)C)ccn1.CN1CCCCC1
InChIInChI=1S/C9H15N3.C6H13N.C2H6/c1-4-10-9-7-8(12(2)3)5-6-11-9;1-7-5-3-2-4-6-7;1-2/h5-7H,4H2,1-3H3,(H,10,11);2-6H2,1H3;1-2H3
InChIKeyBCTXGAXEZNFLHX-UHFFFAOYSA-N
MW294.49 g/mol
LogP3.71
Rot. Bonds3

About ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine

ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine (PubChem CID 169122748) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine.

Molecular Properties

Compound Nameethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine
PubChem CID169122748
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Nameethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine
SMILESCC.CCNc1cc(N(C)C)ccn1.CN1CCCCC1
InChIInChI=1S/C9H15N3.C6H13N.C2H6/c1-4-10-9-7-8(12(2)3)5-6-11-9;1-7-5-3-2-4-6-7;1-2/h5-7H,4H2,1-3H3,(H,10,11);2-6H2,1H3;1-2H3
InChIKeyBCTXGAXEZNFLHX-UHFFFAOYSA-N
XLogP3.71
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine?
The IUPAC name of ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine (CID 169122748) is ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine.
What is the SMILES notation for ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine?
The canonical SMILES for ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine is CC.CCNc1cc(N(C)C)ccn1.CN1CCCCC1.
What is the InChIKey of ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine?
The InChIKey is BCTXGAXEZNFLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.C6H13N.C2H6/c1-4-10-9-7-8(12(2)3)5-6-11-9;1-7-5-3-2-4-6-7;1-2/h5-7H,4H2,1-3H3,(H,10,11);2-6H2,1H3;1-2H3.
What are the key properties of ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine?
ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine has a molecular weight of 294.49 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-N-ethyl-4-N,4-N-dimethylpyridine-2,4-diamine;1-methylpiperidine is sourced from PubChem (CID 169122748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).