N-(3-bromopropyl)-N,2-dimethylbutan-1-amine

C9H20BrN — CID 61288758

IUPACN-(3-bromopropyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CCCBr
InChIInChI=1S/C9H20BrN/c1-4-9(2)8-11(3)7-5-6-10/h9H,4-8H2,1-3H3
InChIKeyBBBJLCOJXKQNPW-UHFFFAOYSA-N
MW222.17 g/mol
LogP2.75
Rot. Bonds6

About N-(3-bromopropyl)-N,2-dimethylbutan-1-amine

N-(3-bromopropyl)-N,2-dimethylbutan-1-amine (PubChem CID 61288758) has the molecular formula C9H20BrN and a molecular weight of 222.17 g/mol. Its IUPAC name is N-(3-bromopropyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N,2-dimethylbutan-1-amine
PubChem CID61288758
Molecular FormulaC9H20BrN
Molecular Weight222.17 g/mol
Exact Mass221.08
IUPAC NameN-(3-bromopropyl)-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CCCBr
InChIInChI=1S/C9H20BrN/c1-4-9(2)8-11(3)7-5-6-10/h9H,4-8H2,1-3H3
InChIKeyBBBJLCOJXKQNPW-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 52.75
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

5-[methyl(2-methylbutyl)amino]pentan-1-ol
CID 62227275
(2S)-N-ethyl-N,2-dimethylbutan-1-amine
CID 89086806
N'-hydroxy-4-[methyl(2-methylbutyl)amino]butanimidamide
CID 43295873
N',3,3-trimethyl-N'-(2-methylbutyl)hexane-1,6-diamine
CID 65296383
2-[2-[methyl(2-methylbutyl)amino]ethoxy]ethanol
CID 61070692
(2S)-N,N,N',2,3-pentamethyl-N'-[(2R)-2-methylbutyl]pentane-1,5-diamine
CID 170265960
ethane;N,N,2-trimethylbutan-1-amine
CID 144720352
ethane;(2R)-N,N,2-trimethylbutan-1-amine
CID 178101295
N',2-dimethyl-N'-(2-methylbutyl)propane-1,3-diamine
CID 43295447
2-(bromomethyl)-N-methyl-N-(2-methylbutyl)pentan-1-amine
CID 65011302
N-(2-butoxyethyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 62559268
N-(3-bromopropyl)-N-methylpentan-3-amine
CID 61286932

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of N-(3-bromopropyl)-N,2-dimethylbutan-1-amine (CID 61288758) is N-(3-bromopropyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-(3-bromopropyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-(3-bromopropyl)-N,2-dimethylbutan-1-amine is CCC(C)CN(C)CCCBr.
What is the InChIKey of N-(3-bromopropyl)-N,2-dimethylbutan-1-amine?
The InChIKey is BBBJLCOJXKQNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20BrN/c1-4-9(2)8-11(3)7-5-6-10/h9H,4-8H2,1-3H3.
What are the key properties of N-(3-bromopropyl)-N,2-dimethylbutan-1-amine?
N-(3-bromopropyl)-N,2-dimethylbutan-1-amine has a molecular weight of 222.17 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 61288758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).