N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine

C14H28BrN — CID 79483320

IUPACN-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CC(C)C)CC1(CBr)CC1
InChIInChI=1S/C14H28BrN/c1-5-13(6-2)16(9-12(3)4)11-14(10-15)7-8-14/h12-13H,5-11H2,1-4H3
InChIKeyQOQVUPJLIIJAIA-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.31
Rot. Bonds8

About N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine

N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine (PubChem CID 79483320) has the molecular formula C14H28BrN and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine
PubChem CID79483320
Molecular FormulaC14H28BrN
Molecular Weight290.29 g/mol
Exact Mass289.14
IUPAC NameN-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine
SMILESCCC(CC)N(CC(C)C)CC1(CBr)CC1
InChIInChI=1S/C14H28BrN/c1-5-13(6-2)16(9-12(3)4)11-14(10-15)7-8-14/h12-13H,5-11H2,1-4H3
InChIKeyQOQVUPJLIIJAIA-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.31
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

[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopentyl]methanol
CID 79490750
2-[1-[[2-methylpropyl(pentan-3-yl)amino]methyl]cyclopropyl]ethanethioamide
CID 79484038
N,N-bis(2-methylpropyl)pentan-3-amine
CID 20735455
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79489290
N-[[1-(bromomethyl)cyclobutyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 65009142
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-(bromomethyl)cyclopentyl]methyl]-N,2-dimethylbutan-1-amine
CID 65001469
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65013731
2-[[1-(bromomethyl)cyclopropyl]methyl-propan-2-ylamino]ethanol
CID 65013614
N-[[1-(bromomethyl)cycloheptyl]methyl]-N-methylpentan-3-amine
CID 65010565
3-[[2-methylpropyl(pentan-3-yl)amino]methyl]oxane-3-carboxylic acid
CID 79489776

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine?
The IUPAC name of N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine (CID 79483320) is N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine?
The canonical SMILES for N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine is CCC(CC)N(CC(C)C)CC1(CBr)CC1.
What is the InChIKey of N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine?
The InChIKey is QOQVUPJLIIJAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrN/c1-5-13(6-2)16(9-12(3)4)11-14(10-15)7-8-14/h12-13H,5-11H2,1-4H3.
What are the key properties of N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine?
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine has a molecular weight of 290.29 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopropyl]methyl]-N-(2-methylpropyl)pentan-3-amine is sourced from PubChem (CID 79483320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).