N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine

C14H21BrN2 — CID 104810723

IUPACN-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(Br)cn2)CCC1
InChIInChI=1S/C14H21BrN2/c1-2-8-16-11-14(6-3-7-14)9-13-5-4-12(15)10-17-13/h4-5,10,16H,2-3,6-9,11H2,1H3
InChIKeyFIAQZWNXZABFRC-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.56
Rot. Bonds6

About N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine

N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine (PubChem CID 104810723) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine
PubChem CID104810723
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC NameN-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1(Cc2ccc(Br)cn2)CCC1
InChIInChI=1S/C14H21BrN2/c1-2-8-16-11-14(6-3-7-14)9-13-5-4-12(15)10-17-13/h4-5,10,16H,2-3,6-9,11H2,1H3
InChIKeyFIAQZWNXZABFRC-UHFFFAOYSA-N
XLogP3.56
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-bromo-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735445
1-[1-[(5-bromo-2-pyridinyl)methyl]-4-butylcyclohexyl]-N-methylmethanamine
CID 104810592
N-[[1-(1,3-thiazol-4-ylmethyl)cyclopentyl]methyl]propan-1-amine
CID 62723392
3-[(5-bromo-2-pyridinyl)methyl]-3-methyl-N-propylcyclopentan-1-amine
CID 116539610
1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735817
N-[[3-[(5-bromo-2-pyridinyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
CID 104811802
N'-(5-bromo-2-pyridinyl)-N-propylethane-1,2-diamine
CID 62662670
1-[(5-bromo-2-pyridinyl)methyl]cyclohexan-1-amine
CID 104802724
(E)-5-(5-bromo-2-pyridinyl)-N-propylpent-3-en-1-amine
CID 104813629
N-[[3-[(5-bromo-2-pyridinyl)methyl]oxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 104810695
[4-[(5-bromo-2-pyridinyl)methyl]oxan-4-yl]methanol
CID 104813123
N-[[1-[(1-butan-2-ylpyrazol-3-yl)methyl]cyclobutyl]methyl]propan-1-amine
CID 65194434

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine (CID 104810723) is N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine is CCCNCC1(Cc2ccc(Br)cn2)CCC1.
What is the InChIKey of N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine?
The InChIKey is FIAQZWNXZABFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-2-8-16-11-14(6-3-7-14)9-13-5-4-12(15)10-17-13/h4-5,10,16H,2-3,6-9,11H2,1H3.
What are the key properties of N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine?
N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine has a molecular weight of 297.24 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 104810723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).