N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine

C15H30BrN — CID 65007549

IUPACN-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)CC1(CBr)CCCCCC1
InChIInChI=1S/C15H30BrN/c1-5-14(2,3)17(4)13-15(12-16)10-8-6-7-9-11-15/h5-13H2,1-4H3
InChIKeyDBKRLYIJAMEIGE-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.84
Rot. Bonds5

About N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine

N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine (PubChem CID 65007549) has the molecular formula C15H30BrN and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine
PubChem CID65007549
Molecular FormulaC15H30BrN
Molecular Weight304.32 g/mol
Exact Mass303.16
IUPAC NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)CC1(CBr)CCCCCC1
InChIInChI=1S/C15H30BrN/c1-5-14(2,3)17(4)13-15(12-16)10-8-6-7-9-11-15/h5-13H2,1-4H3
InChIKeyDBKRLYIJAMEIGE-UHFFFAOYSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 54.84
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-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314
1-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-amine
CID 63960268
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclohexyl]methyl]butan-2-amine
CID 63964541
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
N,2-dimethyl-N-[[1-[(2-methylpropylamino)methyl]cyclopentyl]methyl]butan-2-amine
CID 63964071
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
CID 65010565
N-[(3-ethylpyrrolidin-3-yl)methyl]-N,2-dimethylbutan-2-amine
CID 63957661
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
CID 65001469
N-[[1-(bromomethyl)cycloheptyl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 65009978
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069
N'-[[1-(bromomethyl)cyclohexyl]methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 65002076

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine (CID 65007549) is N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine is CCC(C)(C)N(C)CC1(CBr)CCCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine?
The InChIKey is DBKRLYIJAMEIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrN/c1-5-14(2,3)17(4)13-15(12-16)10-8-6-7-9-11-15/h5-13H2,1-4H3.
What are the key properties of N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine?
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 304.32 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine is sourced from PubChem (CID 65007549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).