N-(3-bromopropyl)-N-ethylpentan-2-amine

C10H22BrN — CID 107887563

IUPACN-(3-bromopropyl)-N-ethylpentan-2-amine
SMILESCCCC(C)N(CC)CCCBr
InChIInChI=1S/C10H22BrN/c1-4-7-10(3)12(5-2)9-6-8-11/h10H,4-9H2,1-3H3
InChIKeyXRQWRPQMOLGQEC-UHFFFAOYSA-N
MW236.20 g/mol
LogP3.28
Rot. Bonds7

About N-(3-bromopropyl)-N-ethylpentan-2-amine

N-(3-bromopropyl)-N-ethylpentan-2-amine (PubChem CID 107887563) has the molecular formula C10H22BrN and a molecular weight of 236.20 g/mol. Its IUPAC name is N-(3-bromopropyl)-N-ethylpentan-2-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-N-ethylpentan-2-amine
PubChem CID107887563
Molecular FormulaC10H22BrN
Molecular Weight236.20 g/mol
Exact Mass235.09
IUPAC NameN-(3-bromopropyl)-N-ethylpentan-2-amine
SMILESCCCC(C)N(CC)CCCBr
InChIInChI=1S/C10H22BrN/c1-4-7-10(3)12(5-2)9-6-8-11/h10H,4-9H2,1-3H3
InChIKeyXRQWRPQMOLGQEC-UHFFFAOYSA-N
XLogP3.28
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 53.28
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-bromoethyl)-N-ethylpentan-2-amine
CID 107887496
ethane;N-ethyl-N-propylpentan-2-amine
CID 165399602
N,N-dibutylpentan-2-amine;hydrate
CID 172857272
2-N-(9-bromononyl)-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190646
N-ethyl-N-propylicosan-2-amine
CID 172693354
ethane;3-N-ethyl-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 142088421
3-N-butyl-1-N,3-N-diethylbutane-1,3-diamine
CID 62425173
N-(2-bromoethyl)-N-methylpentan-2-amine
CID 61287340
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
(4R)-1-bromo-4-methylheptane
CID 101151528
2-N,2-N,5-N,5-N-tetraethylhexane-2,5-diamine
CID 87407207
N,N'-diethyl-N'-pentan-2-ylmethanediamine
CID 156888223

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-N-ethylpentan-2-amine?
The IUPAC name of N-(3-bromopropyl)-N-ethylpentan-2-amine (CID 107887563) is N-(3-bromopropyl)-N-ethylpentan-2-amine.
What is the SMILES notation for N-(3-bromopropyl)-N-ethylpentan-2-amine?
The canonical SMILES for N-(3-bromopropyl)-N-ethylpentan-2-amine is CCCC(C)N(CC)CCCBr.
What is the InChIKey of N-(3-bromopropyl)-N-ethylpentan-2-amine?
The InChIKey is XRQWRPQMOLGQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22BrN/c1-4-7-10(3)12(5-2)9-6-8-11/h10H,4-9H2,1-3H3.
What are the key properties of N-(3-bromopropyl)-N-ethylpentan-2-amine?
N-(3-bromopropyl)-N-ethylpentan-2-amine has a molecular weight of 236.20 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-N-ethylpentan-2-amine is sourced from PubChem (CID 107887563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).