N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide

C7H17Br2N — CID 118903147

IUPACN-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide
SMILESBr.CC(C)CNCCCBr
InChIInChI=1S/C7H16BrN.BrH/c1-7(2)6-9-5-3-4-8;/h7,9H,3-6H2,1-2H3;1H
InChIKeyMQRJGVPUYCFMDM-UHFFFAOYSA-N
MW275.03 g/mol
LogP2.59
Rot. Bonds5

About N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide

N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide (PubChem CID 118903147) has the molecular formula C7H17Br2N and a molecular weight of 275.03 g/mol. Its IUPAC name is N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide
PubChem CID118903147
Molecular FormulaC7H17Br2N
Molecular Weight275.03 g/mol
Exact Mass272.97
IUPAC NameN-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide
SMILESBr.CC(C)CNCCCBr
InChIInChI=1S/C7H16BrN.BrH/c1-7(2)6-9-5-3-4-8;/h7,9H,3-6H2,1-2H3;1H
InChIKeyMQRJGVPUYCFMDM-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.03
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide?
The IUPAC name of N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide (CID 118903147) is N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide.
What is the SMILES notation for N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide?
The canonical SMILES for N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide is Br.CC(C)CNCCCBr.
What is the InChIKey of N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide?
The InChIKey is MQRJGVPUYCFMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16BrN.BrH/c1-7(2)6-9-5-3-4-8;/h7,9H,3-6H2,1-2H3;1H.
What are the key properties of N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide?
N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide has a molecular weight of 275.03 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2-methylpropan-1-amine;hydrobromide is sourced from PubChem (CID 118903147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).