5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine

C12H18BrN3O — CID 103518332

IUPAC5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine
SMILESCN(CCOCC1CC1)c1c(N)cncc1Br
InChIInChI=1S/C12H18BrN3O/c1-16(4-5-17-8-9-2-3-9)12-10(13)6-15-7-11(12)14/h6-7,9H,2-5,8,14H2,1H3
InChIKeyMJJZJHFPWCAMRB-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.29
Rot. Bonds6

About 5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine

5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine (PubChem CID 103518332) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine
PubChem CID103518332
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine
SMILESCN(CCOCC1CC1)c1c(N)cncc1Br
InChIInChI=1S/C12H18BrN3O/c1-16(4-5-17-8-9-2-3-9)12-10(13)6-15-7-11(12)14/h6-7,9H,2-5,8,14H2,1H3
InChIKeyMJJZJHFPWCAMRB-UHFFFAOYSA-N
XLogP2.29
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-Bromopyridin-3-yl)morpholine
CID 46739614
5-Bromo-N-(2-(2-methoxyethoxy)ethyl)pyridin-3-amine
CID 71871210
5-bromo-N-(2-methoxyethyl)pyridin-3-amine
CID 99703569
4-(5-Bromo-3-pyridinyl)-2,6-dimethylmorpholine
CID 56786355
5-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine
CID 71862615
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]pyridin-3-amine
CID 75374147
4-[1-(5-Bromo-3-pyridinyl)-4-methylpyrrolidin-3-yl]morpholine
CID 122137733
6-bromo-3-N-[(2R)-2-(difluoromethoxy)propyl]pyridine-3,4-diamine
CID 169090552
6-bromo-3-N-[2-(difluoromethoxy)propyl]pyridine-3,4-diamine
CID 170427891
5-bromo-2-fluoro-N,N-bis[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-3-amine
CID 177776691
5-bromo-N-cyclopropyl-2-fluoro-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyridin-3-amine
CID 177777211
5-bromo-N-[2-(2,2-difluoroethoxy)ethyl]pyridin-3-amine
CID 103081506

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine?
The IUPAC name of 5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine (CID 103518332) is 5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine is CN(CCOCC1CC1)c1c(N)cncc1Br.
What is the InChIKey of 5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine?
The InChIKey is MJJZJHFPWCAMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-16(4-5-17-8-9-2-3-9)12-10(13)6-15-7-11(12)14/h6-7,9H,2-5,8,14H2,1H3.
What are the key properties of 5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine?
5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine has a molecular weight of 300.20 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[2-(cyclopropylmethoxy)ethyl]-4-N-methylpyridine-3,4-diamine is sourced from PubChem (CID 103518332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).