N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine

C14H28BrN — CID 65015584

IUPACN-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine
SMILESCCCCN(CC(CBr)C(C)(C)C)C1CC1
InChIInChI=1S/C14H28BrN/c1-5-6-9-16(13-7-8-13)11-12(10-15)14(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyNWFHWCMCBXNPBH-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.31
Rot. Bonds7

About N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine

N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine (PubChem CID 65015584) has the molecular formula C14H28BrN and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine.

Molecular Properties

Compound NameN-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine
PubChem CID65015584
Molecular FormulaC14H28BrN
Molecular Weight290.29 g/mol
Exact Mass289.14
IUPAC NameN-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine
SMILESCCCCN(CC(CBr)C(C)(C)C)C1CC1
InChIInChI=1S/C14H28BrN/c1-5-6-9-16(13-7-8-13)11-12(10-15)14(2,3)4/h12-13H,5-11H2,1-4H3
InChIKeyNWFHWCMCBXNPBH-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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

3-[[2-(bromomethyl)-3,3-dimethylbutyl]-cyclobutylamino]propan-1-ol
CID 102869343
(2R)-1-N-butyl-1-N-cyclopropylpropane-1,2-diamine
CID 103934535
N-butyl-N-(2,2-dimethoxyethyl)cyclopropanamine
CID 66222322
N'-butyl-N'-cyclopropyl-2-propan-2-ylpropane-1,3-diamine
CID 65233123
N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine
CID 64995969
2-[butyl(cyclopropyl)amino]-1-phenylethanol
CID 60751435
N'-butyl-1-cyclopentyl-N'-cyclopropyl-N-methylethane-1,2-diamine
CID 104745297
N'-butyl-N'-cyclopropylethane-1,2-diamine
CID 61349574
3-[butyl(cyclopropyl)amino]propan-1-ol
CID 60969534
1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine
CID 61443451
N-(3-bromopropyl)-N-(2-ethylhexyl)cyclobutanamine
CID 102860192
2-amino-3-[butyl(cyclopropyl)amino]-2-methylpropan-1-ol
CID 64826521

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine?
The IUPAC name of N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine (CID 65015584) is N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine.
What is the SMILES notation for N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine?
The canonical SMILES for N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine is CCCCN(CC(CBr)C(C)(C)C)C1CC1.
What is the InChIKey of N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine?
The InChIKey is NWFHWCMCBXNPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrN/c1-5-6-9-16(13-7-8-13)11-12(10-15)14(2,3)4/h12-13H,5-11H2,1-4H3.
What are the key properties of N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine?
N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine has a molecular weight of 290.29 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)-3,3-dimethylbutyl]-N-butylcyclopropanamine is sourced from PubChem (CID 65015584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).