1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine

C16H29N3O2 — CID 82960632

IUPAC1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine
SMILESCCOCCN(CCOCC)C(c1ccncc1)C(C)N
InChIInChI=1S/C16H29N3O2/c1-4-20-12-10-19(11-13-21-5-2)16(14(3)17)15-6-8-18-9-7-15/h6-9,14,16H,4-5,10-13,17H2,1-3H3
InChIKeyWZYHAWYAHMHOHI-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.84
Rot. Bonds11

About 1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine

1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine (PubChem CID 82960632) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine
PubChem CID82960632
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine
SMILESCCOCCN(CCOCC)C(c1ccncc1)C(C)N
InChIInChI=1S/C16H29N3O2/c1-4-20-12-10-19(11-13-21-5-2)16(14(3)17)15-6-8-18-9-7-15/h6-9,14,16H,4-5,10-13,17H2,1-3H3
InChIKeyWZYHAWYAHMHOHI-UHFFFAOYSA-N
XLogP1.84
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,1-N-bis(2-ethoxyethyl)-1-phenylpropane-1,2-diamine
CID 82960381
2-N,2-N-bis(2-ethoxyethyl)pentane-2,3-diamine
CID 82965078
1-(4-chlorophenyl)-1-N-(2-ethoxyethyl)-1-N-ethylbutane-1,2-diamine
CID 63696821
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine
CID 82951786
1-N-(2-methylpropyl)-1-N-pentan-3-yl-1-pyridin-4-ylpropane-1,2-diamine
CID 79483190
3-amino-2-[2-ethoxyethyl(ethyl)amino]butan-1-ol
CID 64897671
4-[1-[2-ethoxyethyl(ethyl)amino]ethyl]phenol
CID 82980754
3-ethoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 7273097
1-N-(2-ethoxyethyl)-1-(4-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 81052895
(1S)-1-pyridin-4-ylpropan-1-amine
CID 26722519
1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 107869311

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine?
The IUPAC name of 1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine (CID 82960632) is 1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine?
The canonical SMILES for 1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine is CCOCCN(CCOCC)C(c1ccncc1)C(C)N.
What is the InChIKey of 1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine?
The InChIKey is WZYHAWYAHMHOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-20-12-10-19(11-13-21-5-2)16(14(3)17)15-6-8-18-9-7-15/h6-9,14,16H,4-5,10-13,17H2,1-3H3.
What are the key properties of 1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine?
1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine has a molecular weight of 295.43 g/mol, XLogP of 1.84, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-bis(2-ethoxyethyl)-1-pyridin-4-ylpropane-1,2-diamine is sourced from PubChem (CID 82960632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).