N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine

C12H24BrN — CID 80690370

IUPACN-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)CN(C)CC1CC(Br)C1
InChIInChI=1S/C12H24BrN/c1-4-5-10(2)8-14(3)9-11-6-12(13)7-11/h10-12H,4-9H2,1-3H3
InChIKeyDAGGJIDTZPITMO-UHFFFAOYSA-N
MW262.23 g/mol
LogP3.53
Rot. Bonds6

About N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine

N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine (PubChem CID 80690370) has the molecular formula C12H24BrN and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine.

Molecular Properties

Compound NameN-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine
PubChem CID80690370
Molecular FormulaC12H24BrN
Molecular Weight262.23 g/mol
Exact Mass261.11
IUPAC NameN-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine
SMILESCCCC(C)CN(C)CC1CC(Br)C1
InChIInChI=1S/C12H24BrN/c1-4-5-10(2)8-14(3)9-11-6-12(13)7-11/h10-12H,4-9H2,1-3H3
InChIKeyDAGGJIDTZPITMO-UHFFFAOYSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-(piperidin-3-ylmethyl)pentan-1-amine
CID 106623913
N-[(3-bromocyclobutyl)methyl]-N,3-dimethylbutane-1-sulfonamide
CID 80675003
N,2-dimethyl-N-[[1-(5-methyloctyl)piperidin-4-yl]methyl]butan-1-amine
CID 166733475
N-(cyclobutylmethyl)-N,2-dimethylbutane-1,4-diamine
CID 80544292
3-bromo-N-(cyclobutylmethyl)-N,2-dimethylpropan-1-amine
CID 64994702
N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pentane-1,5-diamine
CID 104682229
1-N-(cyclopentylmethyl)-1-N,2-N-dimethylpentane-1,2-diamine
CID 63631754
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
3-[[[(2S)-2-hydroxypropyl]-methylamino]methyl]cyclobutan-1-ol
CID 106932837
N,2-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine
CID 106740883
N-(cyclohexylmethyl)-N'-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62413248
1,3-bis(2-methylpentyl)cyclobutane
CID 143683640

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine?
The IUPAC name of N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine (CID 80690370) is N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine.
What is the SMILES notation for N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine?
The canonical SMILES for N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine is CCCC(C)CN(C)CC1CC(Br)C1.
What is the InChIKey of N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine?
The InChIKey is DAGGJIDTZPITMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24BrN/c1-4-5-10(2)8-14(3)9-11-6-12(13)7-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine?
N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine has a molecular weight of 262.23 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclobutyl)methyl]-N,2-dimethylpentan-1-amine is sourced from PubChem (CID 80690370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).