N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine

C15H30BrN — CID 65010565

IUPACN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)CC1(CBr)CCCCCC1
InChIInChI=1S/C15H30BrN/c1-4-14(5-2)17(3)13-15(12-16)10-8-6-7-9-11-15/h14H,4-13H2,1-3H3
InChIKeyFSXRQTITRQQIRM-UHFFFAOYSA-N
MW304.32 g/mol
LogP4.84
Rot. Bonds6

About N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine

N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine (PubChem CID 65010565) has the molecular formula C15H30BrN and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
PubChem CID65010565
Molecular FormulaC15H30BrN
Molecular Weight304.32 g/mol
Exact Mass303.16
IUPAC NameN-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
SMILESCCC(CC)N(C)CC1(CBr)CCCCCC1
InChIInChI=1S/C15H30BrN/c1-4-14(5-2)17(3)13-15(12-16)10-8-6-7-9-11-15/h14H,4-13H2,1-3H3
InChIKeyFSXRQTITRQQIRM-UHFFFAOYSA-N
XLogP4.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
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-(bromomethyl)cyclobutyl]methyl]-N-methylpropan-2-amine
CID 65009190
N-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N-methylpentan-3-amine
CID 62256289
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-ethylethanamine
CID 65010072
N-[[1-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
CID 65001469
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,3-dimethylbutan-2-amine
CID 65009626
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-propan-2-ylpropan-1-amine
CID 65002013
1-(bromomethyl)-1-(2-ethylbutyl)cyclohexane
CID 82935181
N-[[1-(bromomethyl)cycloheptyl]methyl]-N,2-dimethylbutan-2-amine
CID 65007549
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65001962
N-[[1-(bromomethyl)cyclobutyl]methyl]-N,2-dimethylbutan-1-amine
CID 65009362
N-[[1-[[methyl(1-methylsulfanylbutan-2-yl)amino]methyl]cycloheptyl]methyl]cyclopropanamine
CID 115987485
N-[[1-(bromomethyl)cyclohexyl]methyl]-N-ethylpropan-1-amine
CID 65002069

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine?
The IUPAC name of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine (CID 65010565) is N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine?
The canonical SMILES for N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine is CCC(CC)N(C)CC1(CBr)CCCCCC1.
What is the InChIKey of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine?
The InChIKey is FSXRQTITRQQIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30BrN/c1-4-14(5-2)17(3)13-15(12-16)10-8-6-7-9-11-15/h14H,4-13H2,1-3H3.
What are the key properties of N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine?
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine has a molecular weight of 304.32 g/mol, XLogP of 4.84, 6 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-methylpentan-3-amine is sourced from PubChem (CID 65010565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).