9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine

C17H35BrN2 — CID 105343821

IUPAC9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
SMILESCCN1CCCC1CN(C)CCCCCCCCCBr
InChIInChI=1S/C17H35BrN2/c1-3-20-15-11-12-17(20)16-19(2)14-10-8-6-4-5-7-9-13-18/h17H,3-16H2,1-2H3
InChIKeyUDIRCLLHASEHDD-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.53
Rot. Bonds12

About 9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine

9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine (PubChem CID 105343821) has the molecular formula C17H35BrN2 and a molecular weight of 347.39 g/mol. Its IUPAC name is 9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine.

Molecular Properties

Compound Name9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
PubChem CID105343821
Molecular FormulaC17H35BrN2
Molecular Weight347.39 g/mol
Exact Mass346.20
IUPAC Name9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine
SMILESCCN1CCCC1CN(C)CCCCCCCCCBr
InChIInChI=1S/C17H35BrN2/c1-3-20-15-11-12-17(20)16-19(2)14-10-8-6-4-5-7-9-13-18/h17H,3-16H2,1-2H3
InChIKeyUDIRCLLHASEHDD-UHFFFAOYSA-N
XLogP4.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpentan-1-amine
CID 79318514
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-propylhexane-1,6-diamine
CID 79313161
4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanenitrile
CID 115277934
4-[[(2S)-1-ethylpyrrolidin-2-yl]methyl-methylamino]butanoic acid
CID 124511772
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylpentan-1-ol
CID 79317992
N-tert-butyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79314054
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-(1-ethylpyrrolidin-2-yl)-N-methylmethanamine
CID 79319761
6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2,2-dimethylhexanimidamide
CID 106712168
2-(ethylamino)-6-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methylhexan-1-ol
CID 79312282
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methyl-N-phenylpropane-1,3-diamine
CID 79313102
N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 79312374
5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-2-methyl-2-(methylamino)pentanamide
CID 79315658

Frequently Asked Questions

What is the IUPAC name of 9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine?
The IUPAC name of 9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine (CID 105343821) is 9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine.
What is the SMILES notation for 9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine?
The canonical SMILES for 9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine is CCN1CCCC1CN(C)CCCCCCCCCBr.
What is the InChIKey of 9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine?
The InChIKey is UDIRCLLHASEHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35BrN2/c1-3-20-15-11-12-17(20)16-19(2)14-10-8-6-4-5-7-9-13-18/h17H,3-16H2,1-2H3.
What are the key properties of 9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine?
9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine has a molecular weight of 347.39 g/mol, XLogP of 4.53, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylnonan-1-amine is sourced from PubChem (CID 105343821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).