N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide

C13H25Br2N3 — CID 11545437

IUPACN-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
SMILESBr.Br.CC(C)NCc1cccc(CNC(C)C)n1
InChIInChI=1S/C13H23N3.2BrH/c1-10(2)14-8-12-6-5-7-13(16-12)9-15-11(3)4;;/h5-7,10-11,14-15H,8-9H2,1-4H3;2*1H
InChIKeyDTZNEGZLNQBAJY-UHFFFAOYSA-N
MW383.17 g/mol
LogP3.23
Rot. Bonds6

About N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide

N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide (PubChem CID 11545437) has the molecular formula C13H25Br2N3 and a molecular weight of 383.17 g/mol. Its IUPAC name is N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide.

Molecular Properties

Compound NameN-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
PubChem CID11545437
Molecular FormulaC13H25Br2N3
Molecular Weight383.17 g/mol
Exact Mass381.04
IUPAC NameN-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide
SMILESBr.Br.CC(C)NCc1cccc(CNC(C)C)n1
InChIInChI=1S/C13H23N3.2BrH/c1-10(2)14-8-12-6-5-7-13(16-12)9-15-11(3)4;;/h5-7,10-11,14-15H,8-9H2,1-4H3;2*1H
InChIKeyDTZNEGZLNQBAJY-UHFFFAOYSA-N
XLogP3.23
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.17
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(6-propan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 62290162
N-[[6-(pyrazol-1-ylmethyl)-2-pyridinyl]methyl]propan-2-amine
CID 106907352
N-[[6-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906831
N,2-dimethyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]butan-1-amine
CID 106905796
N-butan-2-yl-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280724
4-fluoro-N-methyl-N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]aniline
CID 106906209
N-[[6-[(2,3-dimethylphenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106907961
N-[(6-butoxy-2-pyridinyl)methyl]propan-2-amine
CID 62291321
N-[[6-[(2,3-difluorophenoxy)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106908318
N-[(6-pentoxy-2-pyridinyl)methyl]propan-2-amine
CID 55058638
N-[(6-pentan-2-yloxy-2-pyridinyl)methyl]propan-2-amine
CID 102985999
N-[(2-pyrimidin-2-ylpyrimidin-4-yl)methyl]propan-2-amine
CID 55114824

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide?
The IUPAC name of N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide (CID 11545437) is N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide.
What is the SMILES notation for N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide?
The canonical SMILES for N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide is Br.Br.CC(C)NCc1cccc(CNC(C)C)n1.
What is the InChIKey of N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide?
The InChIKey is DTZNEGZLNQBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.2BrH/c1-10(2)14-8-12-6-5-7-13(16-12)9-15-11(3)4;;/h5-7,10-11,14-15H,8-9H2,1-4H3;2*1H.
What are the key properties of N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide?
N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide has a molecular weight of 383.17 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(propan-2-ylamino)methyl]-2-pyridinyl]methyl]propan-2-amine;dihydrobromide is sourced from PubChem (CID 11545437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).