N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine

C14H28BrN — CID 79004109

IUPACN-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCCCC(CBr)CN(CCC(C)C)C1CC1
InChIInChI=1S/C14H28BrN/c1-4-5-13(10-15)11-16(14-6-7-14)9-8-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyZNFRCXUMJGNZIU-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.31
Rot. Bonds9

About N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine

N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine (PubChem CID 79004109) has the molecular formula C14H28BrN and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine
PubChem CID79004109
Molecular FormulaC14H28BrN
Molecular Weight290.29 g/mol
Exact Mass289.14
IUPAC NameN-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine
SMILESCCCC(CBr)CN(CCC(C)C)C1CC1
InChIInChI=1S/C14H28BrN/c1-4-5-13(10-15)11-16(14-6-7-14)9-8-12(2)3/h12-14H,4-11H2,1-3H3
InChIKeyZNFRCXUMJGNZIU-UHFFFAOYSA-N
XLogP4.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
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

N-[2-(bromomethyl)pentyl]-N-ethylcyclohexanamine
CID 65011181
1-N-cyclopropyl-1-N-(3-methylbutyl)pentane-1,2-diamine
CID 78974349
N-[2-(bromomethyl)pentyl]-N-methylcyclopropanamine
CID 65011242
N-(3-bromo-2-methylpropyl)-N-propylcyclopropanamine
CID 64995969
1-N-cyclopropyl-1-N-(3-methylbutyl)butane-1,2-diamine
CID 78974367
N'-cyclopropyl-2-methyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 78973832
N-[2-(bromomethyl)pentyl]-N-methylcyclohexanamine
CID 65011178
N'-[2-(bromomethyl)pentyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 65011420
N'-cyclopropyl-2-ethyl-N'-(2-methylpropyl)butane-1,4-diamine
CID 81080018
2-(bromomethyl)-N-(cyclopropylmethyl)-N-propan-2-ylpentan-1-amine
CID 65011250
4-[cyclopropyl(3-methylbutyl)amino]-3-(propylamino)butan-1-ol
CID 79001448
1-(cyclopropylamino)-3-[cyclopropyl(3-methylbutyl)amino]propan-2-ol
CID 78974043

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine?
The IUPAC name of N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine (CID 79004109) is N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine.
What is the SMILES notation for N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine?
The canonical SMILES for N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine is CCCC(CBr)CN(CCC(C)C)C1CC1.
What is the InChIKey of N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine?
The InChIKey is ZNFRCXUMJGNZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28BrN/c1-4-5-13(10-15)11-16(14-6-7-14)9-8-12(2)3/h12-14H,4-11H2,1-3H3.
What are the key properties of N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine?
N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine has a molecular weight of 290.29 g/mol, XLogP of 4.31, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)pentyl]-N-(3-methylbutyl)cyclopropanamine is sourced from PubChem (CID 79004109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).