3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine

C12H18BrN3 — CID 79531954

IUPAC3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
SMILESCCCN(CC1CC1)c1ncc(N)cc1Br
InChIInChI=1S/C12H18BrN3/c1-2-5-16(8-9-3-4-9)12-11(13)6-10(14)7-15-12/h6-7,9H,2-5,8,14H2,1H3
InChIKeyBVXCGXKHCRUMCI-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.05
Rot. Bonds5

About 3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine

3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine (PubChem CID 79531954) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
PubChem CID79531954
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
SMILESCCCN(CC1CC1)c1ncc(N)cc1Br
InChIInChI=1S/C12H18BrN3/c1-2-5-16(8-9-3-4-9)12-11(13)6-10(14)7-15-12/h6-7,9H,2-5,8,14H2,1H3
InChIKeyBVXCGXKHCRUMCI-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,5-diamine
CID 61146606
3-bromo-2-N-propyl-2-N-(2,2,2-trifluoroethyl)pyridine-2,5-diamine
CID 79534722
2-N-benzyl-3-bromo-2-N-propylpyridine-2,5-diamine
CID 79531545
5-bromo-3-(chloromethyl)-N-(cyclopropylmethyl)-N-propylpyridin-2-amine
CID 62001137
3-N-(cyclopropylmethyl)-3-N-propylpyrazine-2,3-diamine
CID 102985764
3-bromo-2-N,2-N-bis(2-ethoxyethyl)pyridine-2,5-diamine
CID 82965351
3-bromo-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 79531788
3-bromo-N-ethyl-N-[(4-propylcyclohexyl)methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 143494116
6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 116796564
3-[cyclopropylmethyl(propyl)amino]pyrazine-2-carbothioamide
CID 55103092
4-N-(cyclopropylmethyl)-4-N-propyl-1H-pyrazole-4,5-diamine
CID 114988228
N'-(3-bromo-5-chloro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 114838664

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine?
The IUPAC name of 3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine (CID 79531954) is 3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine?
The canonical SMILES for 3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine is CCCN(CC1CC1)c1ncc(N)cc1Br.
What is the InChIKey of 3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine?
The InChIKey is BVXCGXKHCRUMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-2-5-16(8-9-3-4-9)12-11(13)6-10(14)7-15-12/h6-7,9H,2-5,8,14H2,1H3.
What are the key properties of 3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine?
3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine has a molecular weight of 284.20 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine is sourced from PubChem (CID 79531954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).