N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine

C14H25N3O2 — CID 107444977

IUPACN'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine
SMILESCOCCOc1ccc(NCCNC(C)(C)C)cn1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)17-8-7-15-12-5-6-13(16-11-12)19-10-9-18-4/h5-6,11,15,17H,7-10H2,1-4H3
InChIKeySDWJRDIIHKIEIQ-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.91
Rot. Bonds8

About N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine

N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine (PubChem CID 107444977) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine
PubChem CID107444977
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine
SMILESCOCCOc1ccc(NCCNC(C)(C)C)cn1
InChIInChI=1S/C14H25N3O2/c1-14(2,3)17-8-7-15-12-5-6-13(16-11-12)19-10-9-18-4/h5-6,11,15,17H,7-10H2,1-4H3
InChIKeySDWJRDIIHKIEIQ-UHFFFAOYSA-N
XLogP1.91
TPSA55.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3,3-dimethylbutyl)-6-(2-methoxyethoxy)pyridin-3-amine
CID 62950387
6-(2-methoxyethoxy)-N-(3-methylbutyl)pyridin-3-amine
CID 43688362
6-(2-methoxyethoxy)-N-(2-phenylethyl)pyridin-3-amine
CID 43688348
6-(2-methoxyethoxy)-N-prop-2-ynylpyridin-3-amine
CID 63951273
2-bromo-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 100773616
N-[(2,6-difluorophenyl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 43688333
2,2,3,3-tetrafluoro-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 103732741
N-[[6-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405583
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
2-fluoro-4-[[[6-(2-methoxyethoxy)-3-pyridinyl]amino]methyl]phenol
CID 107685440
6-(2-methoxyethoxy)-N-(thiadiazol-4-ylmethyl)pyridin-3-amine
CID 43688430
3-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-2-methylpropanamide
CID 62668693

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine (CID 107444977) is N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine is COCCOc1ccc(NCCNC(C)(C)C)cn1.
What is the InChIKey of N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine?
The InChIKey is SDWJRDIIHKIEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-14(2,3)17-8-7-15-12-5-6-13(16-11-12)19-10-9-18-4/h5-6,11,15,17H,7-10H2,1-4H3.
What are the key properties of N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine?
N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine has a molecular weight of 267.37 g/mol, XLogP of 1.91, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[6-(2-methoxyethoxy)-3-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 107444977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).